(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide

C14H17N3O — CID 81124360

IUPAC(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H17N3O/c15-8-11-3-5-12(6-4-11)9-17-14(18)13-2-1-7-16-10-13/h3-6,13,16H,1-2,7,9-10H2,(H,17,18)/t13-/m1/s1
InChIKeyOSAKGEMPXUXRLS-CYBMUJFWSA-N
MW243.31 g/mol
LogP1.17
Rot. Bonds3

About (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide

(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide (PubChem CID 81124360) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
PubChem CID81124360
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H17N3O/c15-8-11-3-5-12(6-4-11)9-17-14(18)13-2-1-7-16-10-13/h3-6,13,16H,1-2,7,9-10H2,(H,17,18)/t13-/m1/s1
InChIKeyOSAKGEMPXUXRLS-CYBMUJFWSA-N
XLogP1.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide (CID 81124360) is (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide is N#Cc1ccc(CNC(=O)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OSAKGEMPXUXRLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-11-3-5-12(6-4-11)9-17-14(18)13-2-1-7-16-10-13/h3-6,13,16H,1-2,7,9-10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81124360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).