3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one

C17H23F2NO3 — CID 170511464

IUPAC3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CCCC(F)(F)C2)c(=O)o1
InChIInChI=1S/C17H23F2NO3/c1-4-6-11(2)13-9-12(3)14(16(22)23-13)15(21)20-8-5-7-17(18,19)10-20/h9,11H,4-8,10H2,1-3H3
InChIKeyWIUQPERBCRGUHB-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.72
Rot. Bonds4

About 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one

3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one (PubChem CID 170511464) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one.

Molecular Properties

Compound Name3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
PubChem CID170511464
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CCCC(F)(F)C2)c(=O)o1
InChIInChI=1S/C17H23F2NO3/c1-4-6-11(2)13-9-12(3)14(16(22)23-13)15(21)20-8-5-7-17(18,19)10-20/h9,11H,4-8,10H2,1-3H3
InChIKeyWIUQPERBCRGUHB-UHFFFAOYSA-N
XLogP3.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The IUPAC name of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one (CID 170511464) is 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one.
What is the SMILES notation for 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The canonical SMILES for 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one is CCCC(C)c1cc(C)c(C(=O)N2CCCC(F)(F)C2)c(=O)o1.
What is the InChIKey of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The InChIKey is WIUQPERBCRGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-4-6-11(2)13-9-12(3)14(16(22)23-13)15(21)20-8-5-7-17(18,19)10-20/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one has a molecular weight of 327.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one is sourced from PubChem (CID 170511464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).