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

C29H41N3O5 — CID 129032259

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

6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one (PubChem CID 129032259) has the molecular formula C29H41N3O5 and a molecular weight of 511.66 g/mol. Its IUPAC name is 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
• PubChem CID: 129032259
• Molecular Formula: C29H41N3O5
• Molecular Weight: 511.66 g/mol
• Exact Mass: 511.30
• IUPAC Name: 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
• SMILES: CCCCc1[nH]c(=O)c(C(=O)N2CCN(CC3CCCCC3)CC2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C29H41N3O5/c1-4-5-12-21-24(25-22(36-2)13-9-14-23(25)37-3)27(33)26(28(34)30-21)29(35)32-17-15-31(16-18-32)19-20-10-7-6-8-11-20/h9,13-14,20H,4-8,10-12,15-19H2,1-3H3,(H2,30,33,34)
• InChIKey: SLXDSRXVIGBRNZ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 95.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.66
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one (CID 129032259) is 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one.

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

The canonical SMILES for 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCN(CC3CCCCC3)CC2)c(O)c1-c1c(OC)cccc1OC.

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

The InChIKey is SLXDSRXVIGBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O5/c1-4-5-12-21-24(25-22(36-2)13-9-14-23(25)37-3)27(33)26(28(34)30-21)29(35)32-17-15-31(16-18-32)19-20-10-7-6-8-11-20/h9,13-14,20H,4-8,10-12,15-19H2,1-3H3,(H2,30,33,34).

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

6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one has a molecular weight of 511.66 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 129032259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).