N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide

C17H24ClN3O2 — CID 86837947

IUPACN-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESCOc1c(Cl)cccc1NC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-23-16-14(18)7-4-8-15(16)19-17(22)21-11-9-20(10-12-21)13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H,19,22)
InChIKeyVZUXRMFOYHGMTO-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.44
Rot. Bonds3

About N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide

N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 86837947) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
PubChem CID86837947
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESCOc1c(Cl)cccc1NC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-23-16-14(18)7-4-8-15(16)19-17(22)21-11-9-20(10-12-21)13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H,19,22)
InChIKeyVZUXRMFOYHGMTO-UHFFFAOYSA-N
XLogP3.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
CID 112825337
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide (CID 86837947) is N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide is COc1c(Cl)cccc1NC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is VZUXRMFOYHGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-23-16-14(18)7-4-8-15(16)19-17(22)21-11-9-20(10-12-21)13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide?
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 86837947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).