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

C14H19ClN2O — CID 54913857

IUPACN-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10(11-4-2-6-13(15)8-11)17-14(18)12-5-3-7-16-9-12/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18)
InChIKeyIYTXJAGWEQFKGR-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.52
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 54913857) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID54913857
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10(11-4-2-6-13(15)8-11)17-14(18)12-5-3-7-16-9-12/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18)
InChIKeyIYTXJAGWEQFKGR-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

(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide (CID 54913857) is N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is IYTXJAGWEQFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-4-2-6-13(15)8-11)17-14(18)12-5-3-7-16-9-12/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide?
N-[1-(3-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-(3-chlorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 54913857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).