(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide

C19H26ClN3O2 — CID 126433474

IUPAC(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-14(24)22-11-8-18(9-12-22)21-19(25)23-10-2-3-16(13-23)15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-13H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyVSXSILPXXOEYDN-MRXNPFEDSA-N
MW363.89 g/mol
LogP3.24
Rot. Bonds2

About (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide

(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 126433474) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID126433474
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-14(24)22-11-8-18(9-12-22)21-19(25)23-10-2-3-16(13-23)15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-13H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyVSXSILPXXOEYDN-MRXNPFEDSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-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

3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758
3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 167793829
3-(4-chlorophenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121146730
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 75218553
(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
CID 124739967
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide (CID 126433474) is (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide is CC(=O)N1CCC(NC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is VSXSILPXXOEYDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-14(24)22-11-8-18(9-12-22)21-19(25)23-10-2-3-16(13-23)15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-13H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide?
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 126433474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).