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

C14H19ClN2O — CID 61258238

IUPACN-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(12-6-2-3-7-13(12)15)17-14(18)11-5-4-8-16-9-11/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyJJCNOWCTLDRSMK-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.52
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 61258238) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID61258238
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(12-6-2-3-7-13(12)15)17-14(18)11-5-4-8-16-9-11/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyJJCNOWCTLDRSMK-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119343651
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide (CID 61258238) is N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is JJCNOWCTLDRSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(12-6-2-3-7-13(12)15)17-14(18)11-5-4-8-16-9-11/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 61258238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).