1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

C21H24ClN3O2 — CID 17498457

IUPAC1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H24ClN3O2/c1-15(20(26)24-19-11-5-8-17(22)13-19)25-12-6-7-16(14-25)21(27)23-18-9-3-2-4-10-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyBOELZLLRPCWHHR-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.02
Rot. Bonds5

About 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (PubChem CID 17498457) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
PubChem CID17498457
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H24ClN3O2/c1-15(20(26)24-19-11-5-8-17(22)13-19)25-12-6-7-16(14-25)21(27)23-18-9-3-2-4-10-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyBOELZLLRPCWHHR-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 25493999
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (CID 17498457) is 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is CC(C(=O)Nc1cccc(Cl)c1)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is BOELZLLRPCWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(20(26)24-19-11-5-8-17(22)13-19)25-12-6-7-16(14-25)21(27)23-18-9-3-2-4-10-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 17498457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).