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

C29H34FN3O5 — CID 129032211

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

6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (PubChem CID 129032211) has the molecular formula C29H34FN3O5 and a molecular weight of 523.61 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
• PubChem CID: 129032211
• Molecular Formula: C29H34FN3O5
• Molecular Weight: 523.61 g/mol
• Exact Mass: 523.25
• IUPAC Name: 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
• SMILES: CCCCc1[nH]c(=O)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C29H34FN3O5/c1-4-5-10-21-24(25-22(37-2)11-7-12-23(25)38-3)27(34)26(28(35)31-21)29(36)33-15-13-32(14-16-33)18-19-8-6-9-20(30)17-19/h6-9,11-12,17H,4-5,10,13-16,18H2,1-3H3,(H2,31,34,35)
• InChIKey: GUFPHRJNZDHUQT-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 95.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.61
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?

The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (CID 129032211) is 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?

The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(O)c1-c1c(OC)cccc1OC.

What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?

The InChIKey is GUFPHRJNZDHUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O5/c1-4-5-10-21-24(25-22(37-2)11-7-12-23(25)38-3)27(34)26(28(35)31-21)29(36)33-15-13-32(14-16-33)18-19-8-6-9-20(30)17-19/h6-9,11-12,17H,4-5,10,13-16,18H2,1-3H3,(H2,31,34,35).

What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?

6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one has a molecular weight of 523.61 g/mol, XLogP of 4.20, 9 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-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 129032211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).