4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide

C23H26ClN3O3 — CID 46295328

IUPAC4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H26ClN3O3/c1-15(22(29)25-20-7-3-18(4-8-20)16(2)28)17-11-13-27(14-12-17)23(30)26-21-9-5-19(24)6-10-21/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyACQVBTTVENEMNG-UHFFFAOYSA-N
MW427.93 g/mol
LogP5.06
Rot. Bonds5

About 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide

4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 46295328) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID46295328
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H26ClN3O3/c1-15(22(29)25-20-7-3-18(4-8-20)16(2)28)17-11-13-27(14-12-17)23(30)26-21-9-5-19(24)6-10-21/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyACQVBTTVENEMNG-UHFFFAOYSA-N
XLogP5.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065357
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
N-(4-chlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057939
4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065297
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53057970
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide (CID 46295328) is 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide is CC(=O)c1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is ACQVBTTVENEMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-15(22(29)25-20-7-3-18(4-8-20)16(2)28)17-11-13-27(14-12-17)23(30)26-21-9-5-19(24)6-10-21/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46295328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).