2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide

C23H25ClN2O2 — CID 109140259

IUPAC2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25ClN2O2/c24-18-6-8-19(9-7-18)25-22(27)20-15-21(20)23(28)26-12-10-17(11-13-26)14-16-4-2-1-3-5-16/h1-9,17,20-21H,10-15H2,(H,25,27)
InChIKeyLVIXHILVVWAWCQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide

2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 109140259) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID109140259
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25ClN2O2/c24-18-6-8-19(9-7-18)25-22(27)20-15-21(20)23(28)26-12-10-17(11-13-26)14-16-4-2-1-3-5-16/h1-9,17,20-21H,10-15H2,(H,25,27)
InChIKeyLVIXHILVVWAWCQ-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109140261
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137057
(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone
CID 75584204
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
2-(4-benzylpiperidin-1-yl)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 108500909
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
(Z)-3-(4-benzylpiperidin-1-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860707
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 109140259) is 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is LVIXHILVVWAWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-18-6-8-19(9-7-18)25-22(27)20-15-21(20)23(28)26-12-10-17(11-13-26)14-16-4-2-1-3-5-16/h1-9,17,20-21H,10-15H2,(H,25,27).
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).