N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

C18H24ClN3O2 — CID 75218553

IUPACN-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2CCCN2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(23)21-11-8-15(9-12-21)20-18(24)17-3-2-10-22(17)16-6-4-14(19)5-7-16/h4-7,15,17H,2-3,8-12H2,1H3,(H,20,24)
InChIKeyKRIWGALEWVUIRQ-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.44
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 75218553) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID75218553
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2CCCN2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(23)21-11-8-15(9-12-21)20-18(24)17-3-2-10-22(17)16-6-4-14(19)5-7-16/h4-7,15,17H,2-3,8-12H2,1H3,(H,20,24)
InChIKeyKRIWGALEWVUIRQ-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 68685984
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 46844065
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
1-acetyl-N-[(7S,8aS)-2-(4-chlorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]piperidine-4-carboxamide
CID 7050303
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997
(2S)-1-(4-chlorophenyl)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]pyrrolidine-2-carboxamide
CID 173480363

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (CID 75218553) is N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC(NC(=O)C2CCCN2c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is KRIWGALEWVUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13(23)21-11-8-15(9-12-21)20-18(24)17-3-2-10-22(17)16-6-4-14(19)5-7-16/h4-7,15,17H,2-3,8-12H2,1H3,(H,20,24).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75218553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).