1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C27H36N4O4 — CID 122458358

About 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 122458358) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• PubChem CID: 122458358
• Molecular Formula: C27H36N4O4
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.27
• IUPAC Name: 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-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(C)C2CCN(C)C(CO)C2)c2ccccc12
• InChI: InChI=1S/C27H36N4O4/c1-16-12-24(35-5)22(26(33)29-16)14-28-27(34)25-18(3)31(23-9-7-6-8-21(23)25)17(2)19-10-11-30(4)20(13-19)15-32/h6-9,12,17,19-20,32H,10-11,13-15H2,1-5H3,(H,28,34)(H,29,33)
• InChIKey: KZTOKCKDSBVJQE-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 99.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 122458358) is 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-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-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The canonical SMILES for 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-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(C)C2CCN(C)C(CO)C2)c2ccccc12.

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

The InChIKey is KZTOKCKDSBVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-16-12-24(35-5)22(26(33)29-16)14-28-27(34)25-18(3)31(23-9-7-6-8-21(23)25)17(2)19-10-11-30(4)20(13-19)15-32/h6-9,12,17,19-20,32H,10-11,13-15H2,1-5H3,(H,28,34)(H,29,33).

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

1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 122458358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).