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

C14H20ClN3O — CID 119073163

IUPAC(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
SMILESN[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClN3O/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)/t13-/m0/s1
InChIKeyIZCWEBIHRWYFNY-ZDUSSCGKSA-N
MW281.79 g/mol
LogP2.02
Rot. Bonds3

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

(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide (PubChem CID 119073163) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
PubChem CID119073163
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
SMILESN[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClN3O/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)/t13-/m0/s1
InChIKeyIZCWEBIHRWYFNY-ZDUSSCGKSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3235606
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N-benzhydryl-4-[(3-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11663287
N-cyclohexyl-4-((2,5-dichlorophenyl)(phenyl)methyl)piperazine-1-carboxamide
CID 44177475
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
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N-(3,4-dichlorobenzyl)-4-cyclopentylpiperazine-1-carboxamide
CID 44418575
4-(Bis(4-chlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44560256
4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 44573966
4-benzyl-N-(4-chlorobenzyl)-1-piperazinecarboxamide
CID 851982
1-[2-(4-Chlorophenyl)ethyl]-3-cyclohexylurea
CID 4059236
US10343992, Example 192
CID 122590671

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide (CID 119073163) is (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide is 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?
The InChIKey is IZCWEBIHRWYFNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20ClN3O/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)/t13-/m0/s1.
What are the key properties of (3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide?
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 119073163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).