(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide

C13H17FN2O — CID 103809324

IUPAC(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCCN1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-16(11-7-5-10(14)6-8-11)13(17)12-4-2-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3/t12-/m0/s1
InChIKeyGHEBZWVZCHGTIF-LBPRGKRZSA-N
MW236.29 g/mol
LogP1.93
Rot. Bonds2

About (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide

(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 103809324) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
PubChem CID103809324
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCCN1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-16(11-7-5-10(14)6-8-11)13(17)12-4-2-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3/t12-/m0/s1
InChIKeyGHEBZWVZCHGTIF-LBPRGKRZSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-(4-cyclopropylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 175979802
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200
(2S)-N-(4-carbamimidoylphenyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 67666152
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
N-(5-chlorothiophen-2-yl)-N-methylpiperidine-2-carboxamide
CID 115159724
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide (CID 103809324) is (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide is CN(C(=O)[C@@H]1CCCCN1)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is GHEBZWVZCHGTIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(11-7-5-10(14)6-8-11)13(17)12-4-2-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide?
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103809324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).