(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide

C14H19ClN2O — CID 81139607

IUPAC(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-10(11-4-6-13(15)7-5-11)17-14(18)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyIMQUGQNNANWSRW-TVKKRMFBSA-N
MW266.77 g/mol
LogP2.52
Rot. Bonds3

About (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide

(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81139607) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID81139607
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-10(11-4-6-13(15)7-5-11)17-14(18)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyIMQUGQNNANWSRW-TVKKRMFBSA-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-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride
CID 119332890
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 119318070
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide (CID 81139607) is (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)[C@@H]1CCCNC1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is IMQUGQNNANWSRW-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-4-6-13(15)7-5-11)17-14(18)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)/t10?,12-/m1/s1.
What are the key properties of (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
(3R)-N-[1-(4-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 (3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81139607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).