6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

C29H32FN3O6 — CID 129032147

IUPAC6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C29H32FN3O6/c1-4-5-10-20-23(24-21(38-2)11-7-12-22(24)39-3)26(34)25(27(35)31-20)29(37)33-15-13-32(14-16-33)28(36)18-8-6-9-19(30)17-18/h6-9,11-12,17H,4-5,10,13-16H2,1-3H3,(H2,31,34,35)
InChIKeyARDLEWAHEZITSD-UHFFFAOYSA-N
MW537.59 g/mol
LogP3.84
Rot. Bonds8

About 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (PubChem CID 129032147) has the molecular formula C29H32FN3O6 and a molecular weight of 537.59 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
PubChem CID129032147
Molecular FormulaC29H32FN3O6
Molecular Weight537.59 g/mol
Exact Mass537.23
IUPAC Name6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C29H32FN3O6/c1-4-5-10-20-23(24-21(38-2)11-7-12-22(24)39-3)26(34)25(27(35)31-20)29(37)33-15-13-32(14-16-33)28(36)18-8-6-9-19(30)17-18/h6-9,11-12,17H,4-5,10,13-16H2,1-3H3,(H2,31,34,35)
InChIKeyARDLEWAHEZITSD-UHFFFAOYSA-N
XLogP3.84
TPSA112.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one with MolForge

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Related Compounds

6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032211
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 129032287
6-butyl-3-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032297
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032259
6-butyl-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002
6-butyl-3-[4-[3-(1,1-difluoroethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 145296617
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 159793245
6-butyl-3-[4-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146342705
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
6-butyl-3-[3-[(2,3-difluorophenyl)methoxy]azetidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 158161336

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (CID 129032147) is 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The InChIKey is ARDLEWAHEZITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O6/c1-4-5-10-20-23(24-21(38-2)11-7-12-22(24)39-3)26(34)25(27(35)31-20)29(37)33-15-13-32(14-16-33)28(36)18-8-6-9-19(30)17-18/h6-9,11-12,17H,4-5,10,13-16H2,1-3H3,(H2,31,34,35).
What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one has a molecular weight of 537.59 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 129032147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).