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

C24H30ClN3O — CID 134798200

IUPAC4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCN(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C24H30ClN3O/c1-18-10-11-19(16-23(18)25)22-9-5-2-6-20(22)17-27-12-14-28(15-13-27)24(29)26-21-7-3-4-8-21/h2,5-6,9-11,16,21H,3-4,7-8,12-15,17H2,1H3,(H,26,29)
InChIKeyBYHGHMQZOXSYBH-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.09
Rot. Bonds4

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

4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 134798200) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide
PubChem CID134798200
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCN(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C24H30ClN3O/c1-18-10-11-19(16-23(18)25)22-9-5-2-6-20(22)17-27-12-14-28(15-13-27)24(29)26-21-7-3-4-8-21/h2,5-6,9-11,16,21H,3-4,7-8,12-15,17H2,1H3,(H,26,29)
InChIKeyBYHGHMQZOXSYBH-UHFFFAOYSA-N
XLogP5.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cumyluron
CID 11709249
1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
3-[4-[2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1,1-dimethylurea
CID 146025779
N-benzhydryl-4-[(2-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11620221
N-benzhydryl-4-[(3-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11663287
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16124705
N-Butyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177148
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]-piperazine-1-carboxamide
CID 44177149
N-cyclohexyl-4-{(2,4-dichlorophenyl)[4-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxamide
CID 44177259

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide (CID 134798200) is 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide is Cc1ccc(-c2ccccc2CN2CCN(C(=O)NC3CCCC3)CC2)cc1Cl.
What is the InChIKey of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is BYHGHMQZOXSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-18-10-11-19(16-23(18)25)22-9-5-2-6-20(22)17-27-12-14-28(15-13-27)24(29)26-21-7-3-4-8-21/h2,5-6,9-11,16,21H,3-4,7-8,12-15,17H2,1H3,(H,26,29).
What are the key properties of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide?
4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 411.98 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 134798200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).