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

C31H35ClN4O3 — CID 123868227

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

1-[1-[1-(4-chlorophenyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 123868227) has the molecular formula C31H35ClN4O3 and a molecular weight of 547.10 g/mol. Its IUPAC name is 1-[1-[1-(4-chlorophenyl)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-[1-[1-(4-chlorophenyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• PubChem CID: 123868227
• Molecular Formula: C31H35ClN4O3
• Molecular Weight: 547.10 g/mol
• Exact Mass: 546.24
• IUPAC Name: 1-[1-[1-(4-chlorophenyl)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(C)C2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12
• InChI: InChI=1S/C31H35ClN4O3/c1-19-17-28(39-4)26(30(37)34-19)18-33-31(38)29-21(3)36(27-8-6-5-7-25(27)29)20(2)22-13-15-35(16-14-22)24-11-9-23(32)10-12-24/h5-12,17,20,22H,13-16,18H2,1-4H3,(H,33,38)(H,34,37)
• InChIKey: RMWFACGYFMSQKD-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.10
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-chlorophenyl)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-[1-[1-(4-chlorophenyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 123868227) is 1-[1-[1-(4-chlorophenyl)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-[1-[1-(4-chlorophenyl)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-[1-[1-(4-chlorophenyl)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(C)C2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12.

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

The InChIKey is RMWFACGYFMSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4O3/c1-19-17-28(39-4)26(30(37)34-19)18-33-31(38)29-21(3)36(27-8-6-5-7-25(27)29)20(2)22-13-15-35(16-14-22)24-11-9-23(32)10-12-24/h5-12,17,20,22H,13-16,18H2,1-4H3,(H,33,38)(H,34,37).

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

1-[1-[1-(4-chlorophenyl)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 547.10 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(4-chlorophenyl)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 123868227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).