4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide

C16H21Cl2N3O — CID 17185082

IUPAC4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-6-3-7-14(15(13)18)19-16(22)21-10-8-20(9-11-21)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11H2,(H,19,22)
InChIKeyOHDDJEJPGRVPJO-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.09
Rot. Bonds2

About 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide

4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 17185082) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
PubChem CID17185082
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-6-3-7-14(15(13)18)19-16(22)21-10-8-20(9-11-21)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11H2,(H,19,22)
InChIKeyOHDDJEJPGRVPJO-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

N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
4-cyclopentyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperazine-1-carboxamide
CID 112825895
4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
CID 112825337
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide (CID 17185082) is 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1Cl)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is OHDDJEJPGRVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c17-13-6-3-7-14(15(13)18)19-16(22)21-10-8-20(9-11-21)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11H2,(H,19,22).
What are the key properties of 4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide?
4-cyclopentyl-N-(2,3-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-(2,3-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17185082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).