(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide

C14H19FN2O — CID 93057625

IUPAC(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCCN2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-5-6-11(8-12(10)15)9-17-14(18)13-4-2-3-7-16-13/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyGTTZDFPVXUHVIK-CYBMUJFWSA-N
MW250.32 g/mol
LogP1.89
Rot. Bonds3

About (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide

(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 93057625) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
PubChem CID93057625
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCCN2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-5-6-11(8-12(10)15)9-17-14(18)13-4-2-3-7-16-13/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyGTTZDFPVXUHVIK-CYBMUJFWSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
CID 119287959
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide (CID 93057625) is (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1F.
What is the InChIKey of (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is GTTZDFPVXUHVIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-5-6-11(8-12(10)15)9-17-14(18)13-4-2-3-7-16-13/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide?
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 93057625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).