4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one

C18H16F2N2O2 — CID 70755852

IUPAC4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
SMILESCc1ccc(F)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1F
InChIInChI=1S/C18H16F2N2O2/c1-12-7-8-14(19)16(17(12)20)18(24)21-9-10-22(15(23)11-21)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyVLEBLWORPZBKQD-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.76
Rot. Bonds2

About 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one

4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one (PubChem CID 70755852) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
PubChem CID70755852
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
SMILESCc1ccc(F)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1F
InChIInChI=1S/C18H16F2N2O2/c1-12-7-8-14(19)16(17(12)20)18(24)21-9-10-22(15(23)11-21)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyVLEBLWORPZBKQD-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one
CID 70737618
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
[4-(2-chloroethyl)piperazin-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82815621
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
CID 114499849
(3-aminopyrrolidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82815863
4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
CID 104917774
N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
CID 139004741
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one?
The IUPAC name of 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one (CID 70755852) is 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one?
The canonical SMILES for 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one is Cc1ccc(F)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one?
The InChIKey is VLEBLWORPZBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-12-7-8-14(19)16(17(12)20)18(24)21-9-10-22(15(23)11-21)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3.
What are the key properties of 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one?
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one has a molecular weight of 330.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one is sourced from PubChem (CID 70755852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).