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

C23H22FN3O3 — CID 91955128

IUPAC1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-21-9-7-19(8-10-21)25-12-14-26(15-13-25)23(29)17-2-11-22(28)27(16-17)20-5-3-18(24)4-6-20/h2-11,16H,12-15H2,1H3
InChIKeyZDDPKTFDDLTFKP-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.95
Rot. Bonds4

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

1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 91955128) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID91955128
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-21-9-7-19(8-10-21)25-12-14-26(15-13-25)23(29)17-2-11-22(28)27(16-17)20-5-3-18(24)4-6-20/h2-11,16H,12-15H2,1H3
InChIKeyZDDPKTFDDLTFKP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
CID 91955023
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-fluorophenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-one
CID 71975351
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
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 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one (CID 91955128) is 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one is COc1ccc(N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)c3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is ZDDPKTFDDLTFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-30-21-9-7-19(8-10-21)25-12-14-26(15-13-25)23(29)17-2-11-22(28)27(16-17)20-5-3-18(24)4-6-20/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one?
1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]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 1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 91955128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).