3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one

C20H21F2NO3 — CID 170505486

IUPAC3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C20H21F2NO3/c1-14-12-16(9-8-15-6-3-2-4-7-15)26-19(25)17(14)18(24)23-11-5-10-20(21,22)13-23/h2-4,6-7,12H,5,8-11,13H2,1H3
InChIKeyOLJYYALJDHTYOD-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.60
Rot. Bonds4

About 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one

3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one (PubChem CID 170505486) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one.

Molecular Properties

Compound Name3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one
PubChem CID170505486
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C20H21F2NO3/c1-14-12-16(9-8-15-6-3-2-4-7-15)26-19(25)17(14)18(24)23-11-5-10-20(21,22)13-23/h2-4,6-7,12H,5,8-11,13H2,1H3
InChIKeyOLJYYALJDHTYOD-UHFFFAOYSA-N
XLogP3.60
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-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

Related Compounds

4-[(4-Benzylpiperidino)carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 20861481
8-Acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832694
8-Acetyl-4-[3-(trifluoromethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 57055599
[4-Phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] 2-methylprop-2-enoate
CID 174192719
[1-(2,2-Difluoroacetyl)-4-phenylpiperidin-4-yl] 2-methylprop-2-enoate
CID 174192721
N-(2,3-difluorobenzyl)-4-methyl-6-(1-methylbutyl)-2-oxo-2H-pyran-3-carboxamide
CID 169417361
5-{[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}-4-methyl-3',4',5',6'-tetrahydro-2'H,6H-2,4'-bipyran-6-one
CID 169417970
N-[2-(3-fluorophenyl)ethyl]-4-methyl-6-(1-methylbutyl)-2-oxo-2H-pyran-3-carboxamide
CID 169419395
3-{[4-(3-fluorobenzyl)-1-piperazinyl]carbonyl}-4-methyl-6-(1-methylbutyl)-2H-pyran-2-one
CID 169421594
4-methyl-6-(3-methylbutyl)-2-oxo-N-[4-(trifluoromethyl)benzyl]-2H-pyran-3-carboxamide
CID 170502617
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-(3-piperidinyl)-2H-pyran-3-carboxamide acetate
CID 170502676
3-{[4-(2-fluorobenzyl)-1-piperidinyl]carbonyl}-4-methyl-6-(tetrahydro-2-furanyl)-2H-pyran-2-one
CID 170503215

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one?
The IUPAC name of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one (CID 170505486) is 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one.
What is the SMILES notation for 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one?
The canonical SMILES for 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one?
The InChIKey is OLJYYALJDHTYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c1-14-12-16(9-8-15-6-3-2-4-7-15)26-19(25)17(14)18(24)23-11-5-10-20(21,22)13-23/h2-4,6-7,12H,5,8-11,13H2,1H3.
What are the key properties of 3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one?
3-(3,3-difluoropiperidine-1-carbonyl)-4-methyl-6-(2-phenylethyl)pyran-2-one has a molecular weight of 361.39 g/mol, XLogP of 3.60, 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-(2-phenylethyl)pyran-2-one is sourced from PubChem (CID 170505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).