4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide

C16H22ClN3O — CID 17412310

IUPAC4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O/c17-14-7-3-4-8-15(14)19-9-11-20(12-10-19)16(21)18-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,18,21)
InChIKeyXTTDDVGPQBSDMX-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.11
Rot. Bonds2

About 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide

4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 17412310) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID17412310
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O/c17-14-7-3-4-8-15(14)19-9-11-20(12-10-19)16(21)18-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,18,21)
InChIKeyXTTDDVGPQBSDMX-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide
CID 8626878
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
4-[4-[(2-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-cyclohexylpiperazine-1-carboxamide
CID 42678923
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide (CID 17412310) is 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is XTTDDVGPQBSDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-7-3-4-8-15(14)19-9-11-20(12-10-19)16(21)18-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,18,21).
What are the key properties of 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide?
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 17412310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).