3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C24H20F2N2O3 — CID 75404213

IUPAC3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C24H20F2N2O3/c25-17-6-8-20(26)19(14-17)22(29)16-10-12-28(13-11-16)24(31)18-7-9-21(27-23(18)30)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,27,30)
InChIKeyIXHFCCLISJYDBZ-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.06
Rot. Bonds4

About 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 75404213) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID75404213
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C24H20F2N2O3/c25-17-6-8-20(26)19(14-17)22(29)16-10-12-28(13-11-16)24(31)18-7-9-21(27-23(18)30)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,27,30)
InChIKeyIXHFCCLISJYDBZ-UHFFFAOYSA-N
XLogP4.06
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
CID 119637585
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
CID 51082686
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 118771981
6-phenyl-3-(1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
CID 125483735
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
1-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethane-1,2-dione
CID 25132703
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
CID 51119993
(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55964769

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 75404213) is 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is IXHFCCLISJYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c25-17-6-8-20(26)19(14-17)22(29)16-10-12-28(13-11-16)24(31)18-7-9-21(27-23(18)30)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,27,30).
What are the key properties of 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 422.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 75404213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).