6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one

C22H24FNO3 — CID 170508198

IUPAC6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3/c1-14-13-19(16-5-4-6-16)27-22(26)20(14)21(25)24-12-3-2-7-18(24)15-8-10-17(23)11-9-15/h8-11,13,16,18H,2-7,12H2,1H3
InChIKeyLUWGVRNKVSHLAC-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.72
Rot. Bonds3

About 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one

6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one (PubChem CID 170508198) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one
PubChem CID170508198
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3/c1-14-13-19(16-5-4-6-16)27-22(26)20(14)21(25)24-12-3-2-7-18(24)15-8-10-17(23)11-9-15/h8-11,13,16,18H,2-7,12H2,1H3
InChIKeyLUWGVRNKVSHLAC-UHFFFAOYSA-N
XLogP4.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one?
The IUPAC name of 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one (CID 170508198) is 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one.
What is the SMILES notation for 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one?
The canonical SMILES for 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one?
The InChIKey is LUWGVRNKVSHLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-14-13-19(16-5-4-6-16)27-22(26)20(14)21(25)24-12-3-2-7-18(24)15-8-10-17(23)11-9-15/h8-11,13,16,18H,2-7,12H2,1H3.
What are the key properties of 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one?
6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one has a molecular weight of 369.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methylpyran-2-one is sourced from PubChem (CID 170508198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).