1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine

C58H80N10O6 — CID 53364154

IUPAC1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1
InChIInChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3
InChIKeyCLZFBRKWSABTPJ-UHFFFAOYSA-N
MW1013.34 g/mol
LogP9.39
Rot. Bonds31

About 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53364154) has the molecular formula C58H80N10O6 and a molecular weight of 1013.34 g/mol. Its IUPAC name is 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53364154
Molecular FormulaC58H80N10O6
Molecular Weight1013.34 g/mol
Exact Mass1012.63
IUPAC Name1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1
InChIInChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3
InChIKeyCLZFBRKWSABTPJ-UHFFFAOYSA-N
XLogP9.39
TPSA129.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.34
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 53364154) is 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine is COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1.
What is the InChIKey of 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is CLZFBRKWSABTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3.
What are the key properties of 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 1013.34 g/mol, XLogP of 9.39, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53364154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).