5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C18H17F2N3O3 — CID 136514431

IUPAC5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(F)c(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1F
InChIInChI=1S/C18H17F2N3O3/c1-11-8-15(20)13(9-14(11)19)18(26)23-6-4-22(5-7-23)17(25)12-2-3-16(24)21-10-12/h2-3,8-10H,4-7H2,1H3,(H,21,24)
InChIKeyAGTOIMXJGISJOP-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.56
Rot. Bonds2

About 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 136514431) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID136514431
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(F)c(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1F
InChIInChI=1S/C18H17F2N3O3/c1-11-8-15(20)13(9-14(11)19)18(26)23-6-4-22(5-7-23)17(25)12-2-3-16(24)21-10-12/h2-3,8-10H,4-7H2,1H3,(H,21,24)
InChIKeyAGTOIMXJGISJOP-UHFFFAOYSA-N
XLogP1.56
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 134710076
5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 7595013
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 122136984
2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317762
1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
CID 112548248
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522138
(2,5-difluoro-4-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124695014
1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 70741081

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 136514431) is 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(F)c(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1F.
What is the InChIKey of 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is AGTOIMXJGISJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-11-8-15(20)13(9-14(11)19)18(26)23-6-4-22(5-7-23)17(25)12-2-3-16(24)21-10-12/h2-3,8-10H,4-7H2,1H3,(H,21,24).
What are the key properties of 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 361.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 136514431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).