N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine

C48H56N4O3 — CID 142218021

About N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine

N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine (PubChem CID 142218021) has the molecular formula C48H56N4O3 and a molecular weight of 737.00 g/mol. Its IUPAC name is N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine.

Molecular Properties

• Compound Name: N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine
• PubChem CID: 142218021
• Molecular Formula: C48H56N4O3
• Molecular Weight: 737.00 g/mol
• Exact Mass: 736.44
• IUPAC Name: N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine
• SMILES: CCCc1c(OC)cc(-c2cc(CN3CCC(N(Cc4ccnc(-c5cc(OC)c(OC)c(C6CCC6)c5)c4)c4ccccc4)CC3)ccn2)cc1C1CC1
• InChI: InChI=1S/C48H56N4O3/c1-5-10-41-42(36-15-16-36)27-37(29-46(41)53-2)44-25-33(17-21-49-44)31-51-23-19-40(20-24-51)52(39-13-7-6-8-14-39)32-34-18-22-50-45(26-34)38-28-43(35-11-9-12-35)48(55-4)47(30-38)54-3/h6-8,13-14,17-18,21-22,25-30,35-36,40H,5,9-12,15-16,19-20,23-24,31-32H2,1-4H3
• InChIKey: NFMOQUNFZMQJEP-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 59.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.00
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine (CID 142218021) is N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine.

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

The canonical SMILES for N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine is CCCc1c(OC)cc(-c2cc(CN3CCC(N(Cc4ccnc(-c5cc(OC)c(OC)c(C6CCC6)c5)c4)c4ccccc4)CC3)ccn2)cc1C1CC1.

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

The InChIKey is NFMOQUNFZMQJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56N4O3/c1-5-10-41-42(36-15-16-36)27-37(29-46(41)53-2)44-25-33(17-21-49-44)31-51-23-19-40(20-24-51)52(39-13-7-6-8-14-39)32-34-18-22-50-45(26-34)38-28-43(35-11-9-12-35)48(55-4)47(30-38)54-3/h6-8,13-14,17-18,21-22,25-30,35-36,40H,5,9-12,15-16,19-20,23-24,31-32H2,1-4H3.

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

N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine has a molecular weight of 737.00 g/mol, XLogP of 10.60, 15 rotatable bonds, 0 hydrogen bond donors, and 7 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-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine is sourced from PubChem (CID 142218021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).