(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride

C14H21Cl2N3O — CID 154904649

IUPAC(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClN3O.ClH/c15-12-4-1-3-11(9-12)6-7-17-14(19)18-8-2-5-13(16)10-18;/h1,3-4,9,13H,2,5-8,10,16H2,(H,17,19);1H/t13-;/m0./s1
InChIKeyCPFYSPKCLZECIJ-ZOWNYOTGSA-N
MW318.25 g/mol
LogP2.44
Rot. Bonds3

About (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride

(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride (PubChem CID 154904649) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
PubChem CID154904649
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClN3O.ClH/c15-12-4-1-3-11(9-12)6-7-17-14(19)18-8-2-5-13(16)10-18;/h1,3-4,9,13H,2,5-8,10,16H2,(H,17,19);1H/t13-;/m0./s1
InChIKeyCPFYSPKCLZECIJ-ZOWNYOTGSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966723
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882655
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
CID 166321620
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
3-(3-chlorophenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 57036952
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63793349
N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113111009
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 97238094

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride?
The IUPAC name of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride (CID 154904649) is (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride is Cl.N[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride?
The InChIKey is CPFYSPKCLZECIJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20ClN3O.ClH/c15-12-4-1-3-11(9-12)6-7-17-14(19)18-8-2-5-13(16)10-18;/h1,3-4,9,13H,2,5-8,10,16H2,(H,17,19);1H/t13-;/m0./s1.
What are the key properties of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride?
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride has a molecular weight of 318.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 154904649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).