1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide

C24H29ClN2O — CID 134801733

IUPAC1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NCC3CC3)CC2)cc1Cl
InChIInChI=1S/C24H29ClN2O/c1-17-6-9-20(14-23(17)25)22-5-3-2-4-21(22)16-27-12-10-19(11-13-27)24(28)26-15-18-7-8-18/h2-6,9,14,18-19H,7-8,10-13,15-16H2,1H3,(H,26,28)
InChIKeyYJYIOBQAAAPSKQ-UHFFFAOYSA-N
MW396.96 g/mol
LogP5.05
Rot. Bonds6

About 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide

1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide (PubChem CID 134801733) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
PubChem CID134801733
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NCC3CC3)CC2)cc1Cl
InChIInChI=1S/C24H29ClN2O/c1-17-6-9-20(14-23(17)25)22-5-3-2-4-21(22)16-27-12-10-19(11-13-27)24(28)26-15-18-7-8-18/h2-6,9,14,18-19H,7-8,10-13,15-16H2,1H3,(H,26,28)
InChIKeyYJYIOBQAAAPSKQ-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677
1-[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidine-4-carbonyl]piperidine-4-carbonitrile
CID 134799329
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 134796278
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 45007317
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide (CID 134801733) is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide is Cc1ccc(-c2ccccc2CN2CCC(C(=O)NCC3CC3)CC2)cc1Cl.
What is the InChIKey of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The InChIKey is YJYIOBQAAAPSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O/c1-17-6-9-20(14-23(17)25)22-5-3-2-4-21(22)16-27-12-10-19(11-13-27)24(28)26-15-18-7-8-18/h2-6,9,14,18-19H,7-8,10-13,15-16H2,1H3,(H,26,28).
What are the key properties of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide has a molecular weight of 396.96 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134801733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).