1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide

C17H24ClN3O — CID 119882542

IUPAC1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCCN(c3ccccc3Cl)C2)CCCC1
InChIInChI=1S/C17H24ClN3O/c18-14-7-1-2-8-15(14)21-11-5-6-13(12-21)20-16(22)17(19)9-3-4-10-17/h1-2,7-8,13H,3-6,9-12,19H2,(H,20,22)
InChIKeySKUHKACEOCFSKE-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.70
Rot. Bonds3

About 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide

1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 119882542) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
PubChem CID119882542
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCCN(c3ccccc3Cl)C2)CCCC1
InChIInChI=1S/C17H24ClN3O/c18-14-7-1-2-8-15(14)21-11-5-6-13(12-21)20-16(22)17(19)9-3-4-10-17/h1-2,7-8,13H,3-6,9-12,19H2,(H,20,22)
InChIKeySKUHKACEOCFSKE-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111507150
1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119884065
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
CID 136522287
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81179461
N-[2-[[N-[1-(2-chlorophenyl)piperidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111996044

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide (CID 119882542) is 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide is NC1(C(=O)NC2CCCN(c3ccccc3Cl)C2)CCCC1.
What is the InChIKey of 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is SKUHKACEOCFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-14-7-1-2-8-15(14)21-11-5-6-13(12-21)20-16(22)17(19)9-3-4-10-17/h1-2,7-8,13H,3-6,9-12,19H2,(H,20,22).
What are the key properties of 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119882542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).