![2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile structure](/static/products/726/726199-13-9.png)
2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
TL;DR: 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile (CAS 726199-13-9) is a chemical compound with molecular formula C27H31N5O and molecular weight 441.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzhydrylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
Also Known As: 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile, 2-[4-(diphenylmethyl)piperazin-1-yl]-4-hydroxy-1,3-diazaspiro[5.5]undeca-1,3-diene-5-carbonitrile, 10-(4-benzhydrylpiperazin-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile, 2-(4-benzhydrylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile, 2-(4-benzhydrylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
| Molecular Formula | C27H31N5O |
|---|---|
| Molecular Weight | 441.25 g/mol |
| LogP | 3.72208 |
| Topological Polar Surface Area | 71.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.25287 |
| Heavy Atoms | 33 |
| Complexity | 991.68634 |
Chemical Identifiers
| CAS Number | 726199-13-9 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N |
Product Overview
2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile (CAS 726199-13-9), with molecular formula C27H31N5O and molecular weight 441.25 g/mol. IUPAC: 2-(4-benzhydrylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
Chemical Property Profile of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
Property Insights of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
The XLogP value of 3.72208 indicates that 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile. Following Lipinski's Rule of Five, 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
The CAS number of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is 726199-13-9.
What is the molecular formula of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
The molecular formula of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is C27H31N5O.
What is the molecular weight of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
The molecular weight of 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is 441.25 g/mol.
Where can I buy 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
You can request a quote for 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(diphenylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.