6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one

C16H19F2NO3 — CID 170512442

IUPAC6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C16H19F2NO3/c1-10-9-12(11-3-2-4-11)22-15(21)13(10)14(20)19-7-5-16(17,18)6-8-19/h9,11H,2-8H2,1H3
InChIKeyIAPIZRGYWUUXKB-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.09
Rot. Bonds2

About 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one

6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one (PubChem CID 170512442) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one
PubChem CID170512442
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C16H19F2NO3/c1-10-9-12(11-3-2-4-11)22-15(21)13(10)14(20)19-7-5-16(17,18)6-8-19/h9,11H,2-8H2,1H3
InChIKeyIAPIZRGYWUUXKB-UHFFFAOYSA-N
XLogP3.09
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one?
The IUPAC name of 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one (CID 170512442) is 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one.
What is the SMILES notation for 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one?
The canonical SMILES for 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one?
The InChIKey is IAPIZRGYWUUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-10-9-12(11-3-2-4-11)22-15(21)13(10)14(20)19-7-5-16(17,18)6-8-19/h9,11H,2-8H2,1H3.
What are the key properties of 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one?
6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one has a molecular weight of 311.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-(4,4-difluoropiperidine-1-carbonyl)-4-methylpyran-2-one is sourced from PubChem (CID 170512442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).