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

C14H19ClN2O — CID 28807337

IUPAC(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)[C@H]1CCCNC1
InChIInChI=1S/C14H19ClN2O/c15-13-5-1-3-11(9-13)6-8-17-14(18)12-4-2-7-16-10-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)/t12-/m0/s1
InChIKeyHJOFCPWSPYXDEC-LBPRGKRZSA-N
MW266.77 g/mol
LogP2.00
Rot. Bonds4

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

(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 28807337) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID28807337
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)[C@H]1CCCNC1
InChIInChI=1S/C14H19ClN2O/c15-13-5-1-3-11(9-13)6-8-17-14(18)12-4-2-7-16-10-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)/t12-/m0/s1
InChIKeyHJOFCPWSPYXDEC-LBPRGKRZSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63641962
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide (CID 28807337) is (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1cccc(Cl)c1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is HJOFCPWSPYXDEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-5-1-3-11(9-13)6-8-17-14(18)12-4-2-7-16-10-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 28807337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).