3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide

C34H44N2O6 — CID 91333195

About 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide

3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide (PubChem CID 91333195) has the molecular formula C34H44N2O6 and a molecular weight of 576.73 g/mol. Its IUPAC name is 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide
• PubChem CID: 91333195
• Molecular Formula: C34H44N2O6
• Molecular Weight: 576.73 g/mol
• Exact Mass: 576.32
• IUPAC Name: 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide
• SMILES: COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2cccc(NC(=O)CC(C)OC)c2)cc1
• InChI: InChI=1S/C34H44N2O6/c1-25(38-2)20-34(37)36-29-10-6-8-26(21-29)23-42-33-22-35-17-16-31(33)27-12-14-30(15-13-27)41-19-7-18-40-24-28-9-4-5-11-32(28)39-3/h4-6,8-15,21,25,31,33,35H,7,16-20,22-24H2,1-3H3,(H,36,37)
• InChIKey: HJMZULSJBIXSTB-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 87.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.73
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide?

The IUPAC name of 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide (CID 91333195) is 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide.

What is the SMILES notation for 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide?

The canonical SMILES for 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide is COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2cccc(NC(=O)CC(C)OC)c2)cc1.

What is the InChIKey of 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide?

The InChIKey is HJMZULSJBIXSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O6/c1-25(38-2)20-34(37)36-29-10-6-8-26(21-29)23-42-33-22-35-17-16-31(33)27-12-14-30(15-13-27)41-19-7-18-40-24-28-9-4-5-11-32(28)39-3/h4-6,8-15,21,25,31,33,35H,7,16-20,22-24H2,1-3H3,(H,36,37).

What are the key properties of 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide?

3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide has a molecular weight of 576.73 g/mol, XLogP of 5.71, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide is sourced from PubChem (CID 91333195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).