N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide

C32H44N4O3 — CID 175406462

About N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide

N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide (PubChem CID 175406462) has the molecular formula C32H44N4O3 and a molecular weight of 532.73 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

• Compound Name: N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
• PubChem CID: 175406462
• Molecular Formula: C32H44N4O3
• Molecular Weight: 532.73 g/mol
• Exact Mass: 532.34
• IUPAC Name: N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
• SMILES: COc1ccc2[nH]cc(CCCN3CCN(CCC(=O)N(c4ccccc4)C4CCC(OC)CC4)CC3)c2c1
• InChI: InChI=1S/C32H44N4O3/c1-38-28-12-10-27(11-13-28)36(26-8-4-3-5-9-26)32(37)16-18-35-21-19-34(20-22-35)17-6-7-25-24-33-31-15-14-29(39-2)23-30(25)31/h3-5,8-9,14-15,23-24,27-28,33H,6-7,10-13,16-22H2,1-2H3
• InChIKey: CIXXRBDQHJBUTO-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 61.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.73
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?

The IUPAC name of N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide (CID 175406462) is N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide.

What is the SMILES notation for N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?

The canonical SMILES for N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide is COc1ccc2[nH]cc(CCCN3CCN(CCC(=O)N(c4ccccc4)C4CCC(OC)CC4)CC3)c2c1.

What is the InChIKey of N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?

The InChIKey is CIXXRBDQHJBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O3/c1-38-28-12-10-27(11-13-28)36(26-8-4-3-5-9-26)32(37)16-18-35-21-19-34(20-22-35)17-6-7-25-24-33-31-15-14-29(39-2)23-30(25)31/h3-5,8-9,14-15,23-24,27-28,33H,6-7,10-13,16-22H2,1-2H3.

What are the key properties of N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?

N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 532.73 g/mol, XLogP of 5.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 175406462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).