N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide

C12H12F2N2O2 — CID 78594911

IUPACN-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C12H12F2N2O2/c13-9-3-2-8(5-10(9)14)16-12(18)7-1-4-11(17)15-6-7/h2-3,5,7H,1,4,6H2,(H,15,17)(H,16,18)
InChIKeyXLHZSSFGOHSZHL-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.43
Rot. Bonds2

About N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide

N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 78594911) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
PubChem CID78594911
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C12H12F2N2O2/c13-9-3-2-8(5-10(9)14)16-12(18)7-1-4-11(17)15-6-7/h2-3,5,7H,1,4,6H2,(H,15,17)(H,16,18)
InChIKeyXLHZSSFGOHSZHL-UHFFFAOYSA-N
XLogP1.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide (CID 78594911) is N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(F)c(F)c2)CN1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is XLHZSSFGOHSZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-9-3-2-8(5-10(9)14)16-12(18)7-1-4-11(17)15-6-7/h2-3,5,7H,1,4,6H2,(H,15,17)(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide?
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78594911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).