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

C23H28ClN3O2 — CID 53057941

IUPACN-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28ClN3O2/c1-15-4-9-21(16(2)14-15)26-22(28)17(3)18-10-12-27(13-11-18)23(29)25-20-7-5-19(24)6-8-20/h4-9,14,17-18H,10-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyATOLYOJDVAILRV-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.48
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide (PubChem CID 53057941) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
PubChem CID53057941
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28ClN3O2/c1-15-4-9-21(16(2)14-15)26-22(28)17(3)18-10-12-27(13-11-18)23(29)25-20-7-5-19(24)6-8-20/h4-9,14,17-18H,10-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyATOLYOJDVAILRV-UHFFFAOYSA-N
XLogP5.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
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
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065357
4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53057970
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(2,4-dimethylphenyl)propanamide
CID 53119048
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide (CID 53057941) is N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
The InChIKey is ATOLYOJDVAILRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-15-4-9-21(16(2)14-15)26-22(28)17(3)18-10-12-27(13-11-18)23(29)25-20-7-5-19(24)6-8-20/h4-9,14,17-18H,10-13H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53057941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).