![3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one structure](/static/products/3387/338757-98-5.webp)
3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one
TL;DR: 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one (CAS 338757-98-5) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylaminomethylidene)-1-(4-nitrophenyl)piperidin-4-one
Also Known As: 3-[(DIMETHYLAMINO)METHYLIDENE]-1-(4-NITROPHENYL)PIPERIDIN-4-ONE, 3-(dimethylaminomethylidene)-1-(4-nitrophenyl)piperidin-4-one, 3-[(dimethylamino)methylene]-1-(4-nitrophenyl)tetrahydro-4(1H)-pyridinone
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 1.8195 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 549.2875 |
Chemical Identifiers
| CAS Number | 338757-98-5 |
|---|---|
| SMILES | CN(C)C=C1CN(CCC1=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one (CAS 338757-98-5), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: 3-(dimethylaminomethylidene)-1-(4-nitrophenyl)piperidin-4-one.
Chemical Property Profile of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one
Property Insights of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one
The XLogP value of 1.8195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one. Following Lipinski's Rule of Five, 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one has 0 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 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one?
The CAS number of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one is 338757-98-5.
What is the molecular formula of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one?
The molecular formula of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one is C14H17N3O3.
What is the molecular weight of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one?
The molecular weight of 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one is 275.13 g/mol.
Where can I buy 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one?
You can request a quote for 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Dimethylamino)methylidene]-1-(4-nitrophenyl)piperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.