1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C30H40N4O4 — CID 144791467

About 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 144791467) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• PubChem CID: 144791467
• Molecular Formula: C30H40N4O4
• Molecular Weight: 520.67 g/mol
• Exact Mass: 520.30
• IUPAC Name: 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(O)C3CCC3)CC2)c2ccccc12
• InChI: InChI=1S/C30H40N4O4/c1-18-16-26(38-4)24(28(35)32-18)17-31-29(36)27-20(3)34(25-11-6-5-10-23(25)27)19(2)21-12-14-33(15-13-21)30(37)22-8-7-9-22/h5-6,10-11,16,19,21-22,30,37H,7-9,12-15,17H2,1-4H3,(H,31,36)(H,32,35)/t19-,30?/m1/s1
• InChIKey: GFEULKYRLHXYGO-HZRSZRRBSA-N
• XLogP: 4.28
• TPSA: 99.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.67
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The IUPAC name of 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 144791467) is 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

What is the SMILES notation for 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The canonical SMILES for 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(O)C3CCC3)CC2)c2ccccc12.

What is the InChIKey of 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The InChIKey is GFEULKYRLHXYGO-HZRSZRRBSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-18-16-26(38-4)24(28(35)32-18)17-31-29(36)27-20(3)34(25-11-6-5-10-23(25)27)19(2)21-12-14-33(15-13-21)30(37)22-8-7-9-22/h5-6,10-11,16,19,21-22,30,37H,7-9,12-15,17H2,1-4H3,(H,31,36)(H,32,35)/t19-,30?/m1/s1.

What are the key properties of 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 520.67 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).