3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one

C24H21F2N3O3 — CID 55760671

IUPAC3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C24H21F2N3O3/c1-15-3-2-4-16(13-15)21-8-6-18(22(30)27-21)24(32)29-11-9-28(10-12-29)23(31)17-5-7-19(25)20(26)14-17/h2-8,13-14H,9-12H2,1H3,(H,27,30)
InChIKeyRRWZJIXNRBCDSX-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.23
Rot. Bonds3

About 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one

3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one (PubChem CID 55760671) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
PubChem CID55760671
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C24H21F2N3O3/c1-15-3-2-4-16(13-15)21-8-6-18(22(30)27-21)24(32)29-11-9-28(10-12-29)23(31)17-5-7-19(25)20(26)14-17/h2-8,13-14H,9-12H2,1H3,(H,27,30)
InChIKeyRRWZJIXNRBCDSX-UHFFFAOYSA-N
XLogP3.23
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753
2-fluoro-6-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 55849864
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55753141
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
6-methyl-3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 87015397
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116
4-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839777
6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 55852244
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55790410
N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55842424
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 166200032

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one (CID 55760671) is 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one is Cc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)c(=O)[nH]2)c1.
What is the InChIKey of 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is RRWZJIXNRBCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c1-15-3-2-4-16(13-15)21-8-6-18(22(30)27-21)24(32)29-11-9-28(10-12-29)23(31)17-5-7-19(25)20(26)14-17/h2-8,13-14H,9-12H2,1H3,(H,27,30).
What are the key properties of 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 437.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 55760671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).