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

C22H24FNO5 — CID 169417171

IUPAC3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FNO5/c1-14-12-19(18-6-3-11-27-18)29-22(26)20(14)21(25)24-9-7-16(8-10-24)28-17-5-2-4-15(23)13-17/h2,4-5,12-13,16,18H,3,6-11H2,1H3
InChIKeyHLDLCCIGGIPECF-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.62
Rot. Bonds4

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

3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one (PubChem CID 169417171) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one.

Molecular Properties

Compound Name3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one
PubChem CID169417171
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FNO5/c1-14-12-19(18-6-3-11-27-18)29-22(26)20(14)21(25)24-9-7-16(8-10-24)28-17-5-2-4-15(23)13-17/h2,4-5,12-13,16,18H,3,6-11H2,1H3
InChIKeyHLDLCCIGGIPECF-UHFFFAOYSA-N
XLogP3.62
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-6-(oxolan-2-yl)pyran-2-one
CID 169414938
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 86286555
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 138057193
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 46971532
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one?
The IUPAC name of 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one (CID 169417171) is 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one.
What is the SMILES notation for 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one?
The canonical SMILES for 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one is Cc1cc(C2CCCO2)oc(=O)c1C(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one?
The InChIKey is HLDLCCIGGIPECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO5/c1-14-12-19(18-6-3-11-27-18)29-22(26)20(14)21(25)24-9-7-16(8-10-24)28-17-5-2-4-15(23)13-17/h2,4-5,12-13,16,18H,3,6-11H2,1H3.
What are the key properties of 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one?
3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one has a molecular weight of 401.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one is sourced from PubChem (CID 169417171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).