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

C25H31ClN2O — CID 134801110

IUPAC1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C25H31ClN2O/c1-18-10-11-20(16-24(18)26)23-9-5-2-6-21(23)17-28-14-12-19(13-15-28)25(29)27-22-7-3-4-8-22/h2,5-6,9-11,16,19,22H,3-4,7-8,12-15,17H2,1H3,(H,27,29)
InChIKeyPLYDGLWLCGMDFD-UHFFFAOYSA-N
MW410.99 g/mol
LogP5.59
Rot. Bonds5

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

1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 134801110) has the molecular formula C25H31ClN2O and a molecular weight of 410.99 g/mol. Its IUPAC name is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID134801110
Molecular FormulaC25H31ClN2O
Molecular Weight410.99 g/mol
Exact Mass410.21
IUPAC Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C25H31ClN2O/c1-18-10-11-20(16-24(18)26)23-9-5-2-6-21(23)17-28-14-12-19(13-15-28)25(29)27-22-7-3-4-8-22/h2,5-6,9-11,16,19,22H,3-4,7-8,12-15,17H2,1H3,(H,27,29)
InChIKeyPLYDGLWLCGMDFD-UHFFFAOYSA-N
XLogP5.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-(2,4-dichlorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 16725559
N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 24857886
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 46931619
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
CID 25221265
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]propanamide
CID 46931852
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 56962365
(4R,5R)-5-amino-1-benzyl-4-(2-chlorophenyl)piperidin-2-one
CID 16203032
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide (CID 134801110) is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide is Cc1ccc(-c2ccccc2CN2CCC(C(=O)NC3CCCC3)CC2)cc1Cl.
What is the InChIKey of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is PLYDGLWLCGMDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O/c1-18-10-11-20(16-24(18)26)23-9-5-2-6-21(23)17-28-14-12-19(13-15-28)25(29)27-22-7-3-4-8-22/h2,5-6,9-11,16,19,22H,3-4,7-8,12-15,17H2,1H3,(H,27,29).
What are the key properties of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 410.99 g/mol, XLogP of 5.59, 5 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-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 134801110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).