(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide

C14H19FN2O — CID 120617128

IUPAC(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2F)CCN1
InChIInChI=1S/C14H19FN2O/c1-10-8-11(6-7-16-10)14(18)17-9-12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyACKPVWOLOOCVJJ-QWRGUYRKSA-N
MW250.32 g/mol
LogP1.83
Rot. Bonds3

About (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120617128) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120617128
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2F)CCN1
InChIInChI=1S/C14H19FN2O/c1-10-8-11(6-7-16-10)14(18)17-9-12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyACKPVWOLOOCVJJ-QWRGUYRKSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120631432
(2S,4S)-N-[(2-bromo-4-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624298
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621886
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
(2S,4S)-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120626375
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 120617128) is (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2ccccc2F)CCN1.
What is the InChIKey of (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ACKPVWOLOOCVJJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-8-11(6-7-16-10)14(18)17-9-12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120617128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).