N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine

C49H58N4O5 — CID 142906198

About N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine

N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine (PubChem CID 142906198) has the molecular formula C49H58N4O5 and a molecular weight of 783.03 g/mol. Its IUPAC name is N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine
• PubChem CID: 142906198
• Molecular Formula: C49H58N4O5
• Molecular Weight: 783.03 g/mol
• Exact Mass: 782.44
• IUPAC Name: N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine
• SMILES: COc1cc(OC)cc(N(Cc2ccnc(-c3cc(OC)c(OC)c(C4CCC4)c3)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(C)c(C5CCC5)c4)c3)CC2)c1
• InChI: InChI=1S/C49H58N4O5/c1-32-43(35-9-7-10-35)23-37(25-47(32)56-4)45-21-33(13-17-50-45)30-52-19-15-39(16-20-52)53(40-27-41(54-2)29-42(28-40)55-3)31-34-14-18-51-46(22-34)38-24-44(36-11-8-12-36)49(58-6)48(26-38)57-5/h13-14,17-18,21-29,35-36,39H,7-12,15-16,19-20,30-31H2,1-6H3
• InChIKey: OTOPEUHOAOXSRG-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 78.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.03
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine (CID 142906198) is N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine.

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

The canonical SMILES for N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine is COc1cc(OC)cc(N(Cc2ccnc(-c3cc(OC)c(OC)c(C4CCC4)c3)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(C)c(C5CCC5)c4)c3)CC2)c1.

What is the InChIKey of N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine?

The InChIKey is OTOPEUHOAOXSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58N4O5/c1-32-43(35-9-7-10-35)23-37(25-47(32)56-4)45-21-33(13-17-50-45)30-52-19-15-39(16-20-52)53(40-27-41(54-2)29-42(28-40)55-3)31-34-14-18-51-46(22-34)38-24-44(36-11-8-12-36)49(58-6)48(26-38)57-5/h13-14,17-18,21-29,35-36,39H,7-12,15-16,19-20,30-31H2,1-6H3.

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

N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine has a molecular weight of 783.03 g/mol, XLogP of 10.37, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 142906198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).