1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C24H27ClN2O2 — CID 46592114

IUPAC1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1
InChIInChI=1S/C24H27ClN2O2/c1-17-4-6-18(7-5-17)15-27(22-12-13-22)24(29)20-3-2-14-26(16-20)23(28)19-8-10-21(25)11-9-19/h4-11,20,22H,2-3,12-16H2,1H3
InChIKeyVKCNHAGQWXIDHK-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.69
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 46592114) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID46592114
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1
InChIInChI=1S/C24H27ClN2O2/c1-17-4-6-18(7-5-17)15-27(22-12-13-22)24(29)20-3-2-14-26(16-20)23(28)19-8-10-21(25)11-9-19/h4-11,20,22H,2-3,12-16H2,1H3
InChIKeyVKCNHAGQWXIDHK-UHFFFAOYSA-N
XLogP4.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622566
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46410305
1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 43025139
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 40985102
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198394
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
[3-[(S)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 160998375

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 46592114) is 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VKCNHAGQWXIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-17-4-6-18(7-5-17)15-27(22-12-13-22)24(29)20-3-2-14-26(16-20)23(28)19-8-10-21(25)11-9-19/h4-11,20,22H,2-3,12-16H2,1H3.
What are the key properties of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46592114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).