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

C14H19ClN2O — CID 61276083

IUPACN-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCCCN1
InChIInChI=1S/C14H19ClN2O/c15-12-5-3-4-11(10-12)7-9-17-14(18)13-6-1-2-8-16-13/h3-5,10,13,16H,1-2,6-9H2,(H,17,18)
InChIKeyGACVGSNSWSHMNE-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.14
Rot. Bonds4

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

N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 61276083) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
PubChem CID61276083
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCCCN1
InChIInChI=1S/C14H19ClN2O/c15-12-5-3-4-11(10-12)7-9-17-14(18)13-6-1-2-8-16-13/h3-5,10,13,16H,1-2,6-9H2,(H,17,18)
InChIKeyGACVGSNSWSHMNE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292100
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76897371
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119326195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide (CID 61276083) is N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CCCCN1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is GACVGSNSWSHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-5-3-4-11(10-12)7-9-17-14(18)13-6-1-2-8-16-13/h3-5,10,13,16H,1-2,6-9H2,(H,17,18).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 61276083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).