4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide

C16H21Cl2N3O — CID 17185083

IUPAC4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21Cl2N3O/c17-12-5-6-15(14(18)11-12)19-16(22)21-9-7-20(8-10-21)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,22)
InChIKeyMNBRMBMDIXXAEO-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.09
Rot. Bonds2

About 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide

4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 17185083) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID17185083
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21Cl2N3O/c17-12-5-6-15(14(18)11-12)19-16(22)21-9-7-20(8-10-21)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,22)
InChIKeyMNBRMBMDIXXAEO-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
N-(2,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-2-ylethyl)piperazine-1-carboxamide
CID 4606874
N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40653589
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide (CID 17185083) is 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is MNBRMBMDIXXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c17-12-5-6-15(14(18)11-12)19-16(22)21-9-7-20(8-10-21)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,22).
What are the key properties of 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17185083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).