3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide

C26H32ClN3O2 — CID 10321712

About 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide

3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide (PubChem CID 10321712) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide
• PubChem CID: 10321712
• Molecular Formula: C26H32ClN3O2
• Molecular Weight: 454.01 g/mol
• Exact Mass: 453.22
• IUPAC Name: 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide
• SMILES: CC(C)N1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1
• InChI: InChI=1S/C26H32ClN3O2/c1-18(2)30-12-10-19(11-13-30)16-32-17-25(20-6-4-3-5-7-20)29-26(31)21-8-9-22-23(27)15-28-24(22)14-21/h3-9,14-15,18-19,25,28H,10-13,16-17H2,1-2H3,(H,29,31)/t25-/m0/s1
• InChIKey: GXISPBQCHHVABH-VWLOTQADSA-N
• XLogP: 5.43
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.01
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?

The IUPAC name of 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide (CID 10321712) is 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?

The canonical SMILES for 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide is CC(C)N1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1.

What is the InChIKey of 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?

The InChIKey is GXISPBQCHHVABH-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-18(2)30-12-10-19(11-13-30)16-32-17-25(20-6-4-3-5-7-20)29-26(31)21-8-9-22-23(27)15-28-24(22)14-21/h3-9,14-15,18-19,25,28H,10-13,16-17H2,1-2H3,(H,29,31)/t25-/m0/s1.

What are the key properties of 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?

3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide has a molecular weight of 454.01 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 10321712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).