N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine

C47H60N4O5 — CID 142818371

About N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine

N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine (PubChem CID 142818371) has the molecular formula C47H60N4O5 and a molecular weight of 761.02 g/mol. Its IUPAC name is N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine
• PubChem CID: 142818371
• Molecular Formula: C47H60N4O5
• Molecular Weight: 761.02 g/mol
• Exact Mass: 760.46
• IUPAC Name: N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine
• SMILES: CCCc1cc(C2=CNCC(CN3CCC(N(CC4=CN(C)CC(c5cc(OC)c(OC)c(C6CC6)c5)=C4)c4cccc(OC)c4)CC3)=C2)cc(OC)c1OC
• InChI: InChI=1S/C47H60N4O5/c1-8-10-35-21-36(23-44(53-4)46(35)55-6)38-19-32(26-48-27-38)29-50-17-15-40(16-18-50)51(41-11-9-12-42(25-41)52-3)30-33-20-39(31-49(2)28-33)37-22-43(34-13-14-34)47(56-7)45(24-37)54-5/h9,11-12,19-25,27-28,34,40,48H,8,10,13-18,26,29-31H2,1-7H3
• InChIKey: ABCSNIPQDRTVOA-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 67.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.02
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine?

The IUPAC name of N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine (CID 142818371) is N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine.

What is the SMILES notation for N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine?

The canonical SMILES for N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine is CCCc1cc(C2=CNCC(CN3CCC(N(CC4=CN(C)CC(c5cc(OC)c(OC)c(C6CC6)c5)=C4)c4cccc(OC)c4)CC3)=C2)cc(OC)c1OC.

What is the InChIKey of N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine?

The InChIKey is ABCSNIPQDRTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60N4O5/c1-8-10-35-21-36(23-44(53-4)46(35)55-6)38-19-32(26-48-27-38)29-50-17-15-40(16-18-50)51(41-11-9-12-42(25-41)52-3)30-33-20-39(31-49(2)28-33)37-22-43(34-13-14-34)47(56-7)45(24-37)54-5/h9,11-12,19-25,27-28,34,40,48H,8,10,13-18,26,29-31H2,1-7H3.

What are the key properties of N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine?

N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine has a molecular weight of 761.02 g/mol, XLogP of 8.31, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 142818371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).