(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide

C15H21FN2O — CID 103812920

IUPAC(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCCCN2)cc(C)c1F
InChIInChI=1S/C15H21FN2O/c1-10-7-12(8-11(2)14(10)16)9-18-15(19)13-5-3-4-6-17-13/h7-8,13,17H,3-6,9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyXAPIJEBTNGXKNG-ZDUSSCGKSA-N
MW264.34 g/mol
LogP2.20
Rot. Bonds3

About (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide

(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 103812920) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
PubChem CID103812920
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCCCN2)cc(C)c1F
InChIInChI=1S/C15H21FN2O/c1-10-7-12(8-11(2)14(10)16)9-18-15(19)13-5-3-4-6-17-13/h7-8,13,17H,3-6,9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyXAPIJEBTNGXKNG-ZDUSSCGKSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide (CID 103812920) is (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide is Cc1cc(CNC(=O)[C@@H]2CCCCN2)cc(C)c1F.
What is the InChIKey of (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is XAPIJEBTNGXKNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-7-12(8-11(2)14(10)16)9-18-15(19)13-5-3-4-6-17-13/h7-8,13,17H,3-6,9H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide?
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 103812920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).