(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide

C13H14ClN3O — CID 107807941

IUPAC(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-11-6-9(7-15)3-4-12(11)17-13(18)10-2-1-5-16-8-10/h3-4,6,10,16H,1-2,5,8H2,(H,17,18)/t10-/m1/s1
InChIKeyWOEBZNYLPIWKQH-SNVBAGLBSA-N
MW263.73 g/mol
LogP2.15
Rot. Bonds2

About (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide

(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide (PubChem CID 107807941) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
PubChem CID107807941
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-11-6-9(7-15)3-4-12(11)17-13(18)10-2-1-5-16-8-10/h3-4,6,10,16H,1-2,5,8H2,(H,17,18)/t10-/m1/s1
InChIKeyWOEBZNYLPIWKQH-SNVBAGLBSA-N
XLogP2.15
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
(2R,5S)-5-[(2-chloro-4-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107807123
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide (CID 107807941) is (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide is N#Cc1ccc(NC(=O)[C@@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide?
The InChIKey is WOEBZNYLPIWKQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-6-9(7-15)3-4-12(11)17-13(18)10-2-1-5-16-8-10/h3-4,6,10,16H,1-2,5,8H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide?
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 107807941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).