5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one

C18H19FN2O3 — CID 950132

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O3/c1-12-11-16(22)24-13(2)17(12)18(23)21-9-7-20(8-10-21)15-5-3-14(19)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyIVQLYKCIQHDLSI-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.36
Rot. Bonds2

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one (PubChem CID 950132) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
PubChem CID950132
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O3/c1-12-11-16(22)24-13(2)17(12)18(23)21-9-7-20(8-10-21)15-5-3-14(19)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyIVQLYKCIQHDLSI-UHFFFAOYSA-N
XLogP2.36
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
5-[2-[4-(2,4-dimethyl-6-oxopyran-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxylic acid
CID 118142541
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-4,6-dimethylpyran-2-one
CID 930606
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one (CID 950132) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one?
The InChIKey is IVQLYKCIQHDLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-11-16(22)24-13(2)17(12)18(23)21-9-7-20(8-10-21)15-5-3-14(19)4-6-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one is sourced from PubChem (CID 950132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).