1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine

C32H46N4O2 — CID 154639333

About 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine

1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine (PubChem CID 154639333) has the molecular formula C32H46N4O2 and a molecular weight of 518.75 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
• PubChem CID: 154639333
• Molecular Formula: C32H46N4O2
• Molecular Weight: 518.75 g/mol
• Exact Mass: 518.36
• IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
• SMILES: COc1ccc(-c2[nH]c3ccc(N4CCC(NC5CCN(C(C)C)CC5)CC4)cc3c2C(C)C)cc1OC
• InChI: InChI=1S/C32H46N4O2/c1-21(2)31-27-20-26(8-9-28(27)34-32(31)23-7-10-29(37-5)30(19-23)38-6)36-17-13-25(14-18-36)33-24-11-15-35(16-12-24)22(3)4/h7-10,19-22,24-25,33-34H,11-18H2,1-6H3
• InChIKey: IVAJRYGUNZIMEY-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 52.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.75
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?

The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine (CID 154639333) is 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine.

What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?

The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine is COc1ccc(-c2[nH]c3ccc(N4CCC(NC5CCN(C(C)C)CC5)CC4)cc3c2C(C)C)cc1OC.

What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?

The InChIKey is IVAJRYGUNZIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O2/c1-21(2)31-27-20-26(8-9-28(27)34-32(31)23-7-10-29(37-5)30(19-23)38-6)36-17-13-25(14-18-36)33-24-11-15-35(16-12-24)22(3)4/h7-10,19-22,24-25,33-34H,11-18H2,1-6H3.

What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?

1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 518.75 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 154639333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).