N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide

C31H39N3O3 — CID 134156520

About N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide

N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide (PubChem CID 134156520) has the molecular formula C31H39N3O3 and a molecular weight of 501.67 g/mol. Its IUPAC name is N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide.

Molecular Properties

• Compound Name: N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
• PubChem CID: 134156520
• Molecular Formula: C31H39N3O3
• Molecular Weight: 501.67 g/mol
• Exact Mass: 501.30
• IUPAC Name: N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
• SMILES: COCOc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1
• InChI: InChI=1S/C31H39N3O3/c1-36-25-37-28-17-15-26(16-18-28)24-32-31(35)14-6-3-9-19-33-20-22-34(23-21-33)30-13-8-7-12-29(30)27-10-4-2-5-11-27/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-25H2,1H3,(H,32,35)
• InChIKey: HUFSUMIWNMPJOE-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.67
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?

The IUPAC name of N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide (CID 134156520) is N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide.

What is the SMILES notation for N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?

The canonical SMILES for N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide is COCOc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1.

What is the InChIKey of N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?

The InChIKey is HUFSUMIWNMPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O3/c1-36-25-37-28-17-15-26(16-18-28)24-32-31(35)14-6-3-9-19-33-20-22-34(23-21-33)30-13-8-7-12-29(30)27-10-4-2-5-11-27/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-25H2,1H3,(H,32,35).

What are the key properties of N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?

N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide has a molecular weight of 501.67 g/mol, XLogP of 5.34, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide is sourced from PubChem (CID 134156520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).