4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

C32H43N3O3 — CID 159063050

About 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 159063050) has the molecular formula C32H43N3O3 and a molecular weight of 517.71 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
• PubChem CID: 159063050
• Molecular Formula: C32H43N3O3
• Molecular Weight: 517.71 g/mol
• Exact Mass: 517.33
• IUPAC Name: 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
• SMILES: COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC3(C)CCC3)CC2)c2ccccc12
• InChI: InChI=1S/C32H43N3O3/c1-21-19-29(38-5)26(31(37)33-21)11-12-28(36)30-23(3)35(27-10-7-6-9-25(27)30)22(2)24-13-17-34(18-14-24)20-32(4)15-8-16-32/h6-7,9-10,19,22,24H,8,11-18,20H2,1-5H3,(H,33,37)/t22-/m1/s1
• InChIKey: JYSDSOOEJYZZCD-JOCHJYFZSA-N
• XLogP: 6.23
• TPSA: 67.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.71
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 159063050) is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The canonical SMILES for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC3(C)CCC3)CC2)c2ccccc12.

What is the InChIKey of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The InChIKey is JYSDSOOEJYZZCD-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H43N3O3/c1-21-19-29(38-5)26(31(37)33-21)11-12-28(36)30-23(3)35(27-10-7-6-9-25(27)30)22(2)24-13-17-34(18-14-24)20-32(4)15-8-16-32/h6-7,9-10,19,22,24H,8,11-18,20H2,1-5H3,(H,33,37)/t22-/m1/s1.

What are the key properties of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 517.71 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 159063050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).