N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

C46H56N4O4 — CID 142906018

About N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 142906018) has the molecular formula C46H56N4O4 and a molecular weight of 728.98 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
• PubChem CID: 142906018
• Molecular Formula: C46H56N4O4
• Molecular Weight: 728.98 g/mol
• Exact Mass: 728.43
• IUPAC Name: N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
• SMILES: CCCc1cc(-c2cc(CN3CCC(N(Cc4ccnc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(OC)cc4)CC3)ccn2)cc(OC)c1C
• InChI: InChI=1S/C46H56N4O4/c1-8-10-35-26-37(28-44(52-5)32(35)3)42-24-33(16-20-47-42)30-49-22-18-40(19-23-49)50(39-12-14-41(51-4)15-13-39)31-34-17-21-48-43(25-34)38-27-36(11-9-2)46(54-7)45(29-38)53-6/h12-17,20-21,24-29,40H,8-11,18-19,22-23,30-31H2,1-7H3
• InChIKey: XGLTVZZUQLNXJQ-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 69.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.98
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?

The IUPAC name of N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (CID 142906018) is N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.

What is the SMILES notation for N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?

The canonical SMILES for N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is CCCc1cc(-c2cc(CN3CCC(N(Cc4ccnc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(OC)cc4)CC3)ccn2)cc(OC)c1C.

What is the InChIKey of N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?

The InChIKey is XGLTVZZUQLNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56N4O4/c1-8-10-35-26-37(28-44(52-5)32(35)3)42-24-33(16-20-47-42)30-49-22-18-40(19-23-49)50(39-12-14-41(51-4)15-13-39)31-34-17-21-48-43(25-34)38-27-36(11-9-2)46(54-7)45(29-38)53-6/h12-17,20-21,24-29,40H,8-11,18-19,22-23,30-31H2,1-7H3.

What are the key properties of N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?

N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 728.98 g/mol, XLogP of 9.73, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 142906018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).