4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide

C21H24ClN3O2 — CID 95065297

IUPAC4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15(20(26)24-19-10-6-5-9-18(19)22)16-11-13-25(14-12-16)21(27)23-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyBYBBTXPQLJOCPZ-HNNXBMFYSA-N
MW385.90 g/mol
LogP4.86
Rot. Bonds4

About 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide

4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95065297) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID95065297
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15(20(26)24-19-10-6-5-9-18(19)22)16-11-13-25(14-12-16)21(27)23-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyBYBBTXPQLJOCPZ-HNNXBMFYSA-N
XLogP4.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53057970
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
N-(4-chlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057939
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide (CID 95065297) is 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide is C[C@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is BYBBTXPQLJOCPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(20(26)24-19-10-6-5-9-18(19)22)16-11-13-25(14-12-16)21(27)23-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,27)(H,24,26)/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95065297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).