3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one

C23H26FNO4 — CID 170507115

IUPAC3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C23H26FNO4/c1-15-14-20(17-9-12-28-13-10-17)29-23(27)21(15)22(26)25-11-3-2-4-19(25)16-5-7-18(24)8-6-16/h5-8,14,17,19H,2-4,9-13H2,1H3
InChIKeyHIXFDWOVDNQPFE-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.35
Rot. Bonds3

About 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one

3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one (PubChem CID 170507115) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
PubChem CID170507115
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C23H26FNO4/c1-15-14-20(17-9-12-28-13-10-17)29-23(27)21(15)22(26)25-11-3-2-4-19(25)16-5-7-18(24)8-6-16/h5-8,14,17,19H,2-4,9-13H2,1H3
InChIKeyHIXFDWOVDNQPFE-UHFFFAOYSA-N
XLogP4.35
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one (CID 170507115) is 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
The InChIKey is HIXFDWOVDNQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-15-14-20(17-9-12-28-13-10-17)29-23(27)21(15)22(26)25-11-3-2-4-19(25)16-5-7-18(24)8-6-16/h5-8,14,17,19H,2-4,9-13H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one has a molecular weight of 399.46 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one is sourced from PubChem (CID 170507115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).