5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one

C23H22FN3O3 — CID 91955023

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-21-9-7-20(8-10-21)27-16-17(2-11-22(27)28)23(29)26-14-12-25(13-15-26)19-5-3-18(24)4-6-19/h2-11,16H,12-15H2,1H3
InChIKeyBKNFMGWQSXRASG-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.95
Rot. Bonds4

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one (PubChem CID 91955023) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
PubChem CID91955023
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-21-9-7-20(8-10-21)27-16-17(2-11-22(27)28)23(29)26-14-12-25(13-15-26)19-5-3-18(24)4-6-19/h2-11,16H,12-15H2,1H3
InChIKeyBKNFMGWQSXRASG-UHFFFAOYSA-N
XLogP2.95
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
CID 91955128
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263
1-(4-fluorophenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-one
CID 71975351
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one (CID 91955023) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one is COc1ccc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is BKNFMGWQSXRASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-30-21-9-7-20(8-10-21)27-16-17(2-11-22(27)28)23(29)26-14-12-25(13-15-26)19-5-3-18(24)4-6-19/h2-11,16H,12-15H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 407.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 91955023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).