5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one

C18H20FN3O3 — CID 136564991

IUPAC5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCN(c2ccccc2F)CC1C
InChIInChI=1S/C18H20FN3O3/c1-12-11-21(15-6-4-3-5-14(15)19)7-8-22(12)18(24)13-10-20-17(23)9-16(13)25-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyUWARLDQOBIWXJL-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.87
Rot. Bonds3

About 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one

5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one (PubChem CID 136564991) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
PubChem CID136564991
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCN(c2ccccc2F)CC1C
InChIInChI=1S/C18H20FN3O3/c1-12-11-21(15-6-4-3-5-14(15)19)7-8-22(12)18(24)13-10-20-17(23)9-16(13)25-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyUWARLDQOBIWXJL-UHFFFAOYSA-N
XLogP1.87
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 136564992
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95892181
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
CID 126806453
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 138023364
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167924843
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 127464891
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one (CID 136564991) is 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one is COc1cc(=O)[nH]cc1C(=O)N1CCN(c2ccccc2F)CC1C.
What is the InChIKey of 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
The InChIKey is UWARLDQOBIWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-11-21(15-6-4-3-5-14(15)19)7-8-22(12)18(24)13-10-20-17(23)9-16(13)25-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one has a molecular weight of 345.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 136564991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).