1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

C25H28N4O3 — CID 11626189

About 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 11626189) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
• PubChem CID: 11626189
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
• SMILES: COc1ccc2nc(C)oc2c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
• InChI: InChI=1S/C25H28N4O3/c1-16-27-21-5-6-23(31-2)20(24(21)32-16)10-13-28-11-8-19(9-12-28)29-14-7-17-3-4-18(25(26)30)15-22(17)29/h3-7,14-15,19H,8-13H2,1-2H3,(H2,26,30)
• InChIKey: XJGFMBYWIHMRBI-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 86.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The IUPAC name of 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 11626189) is 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

What is the SMILES notation for 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The canonical SMILES for 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc2nc(C)oc2c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.

What is the InChIKey of 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The InChIKey is XJGFMBYWIHMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-27-21-5-6-23(31-2)20(24(21)32-16)10-13-28-11-8-19(9-12-28)29-14-7-17-3-4-18(25(26)30)15-22(17)29/h3-7,14-15,19H,8-13H2,1-2H3,(H2,26,30).

What are the key properties of 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 11626189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).