N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide

C13H15FN2O2 — CID 78917930

IUPACN-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)NC1)c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c1-16(11-5-3-2-4-10(11)14)13(18)9-6-7-12(17)15-8-9/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyXOBDMGKUOGMHTJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.31
Rot. Bonds2

About N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide

N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 78917930) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID78917930
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)NC1)c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c1-16(11-5-3-2-4-10(11)14)13(18)9-6-7-12(17)15-8-9/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyXOBDMGKUOGMHTJ-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 78917930) is N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide is CN(C(=O)C1CCC(=O)NC1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is XOBDMGKUOGMHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16(11-5-3-2-4-10(11)14)13(18)9-6-7-12(17)15-8-9/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78917930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).