1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine

C50H64N10O8 — CID 53364225

IUPAC1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1
InChIInChI=1S/C50H64N10O8/c1-61-45-11-7-5-9-43(45)57-21-17-55(18-22-57)33-39-13-15-47(49(31-39)63-3)67-37-41-35-59(53-51-41)25-27-65-29-30-66-28-26-60-36-42(52-54-60)38-68-48-16-14-40(32-50(48)64-4)34-56-19-23-58(24-20-56)44-10-6-8-12-46(44)62-2/h5-16,31-32,35-36H,17-30,33-34,37-38H2,1-4H3
InChIKeyLQTCRFLMOJHQHE-UHFFFAOYSA-N
MW933.12 g/mol
LogP5.44
Rot. Bonds25

About 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53364225) has the molecular formula C50H64N10O8 and a molecular weight of 933.12 g/mol. Its IUPAC name is 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53364225
Molecular FormulaC50H64N10O8
Molecular Weight933.12 g/mol
Exact Mass932.49
IUPAC Name1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1
InChIInChI=1S/C50H64N10O8/c1-61-45-11-7-5-9-43(45)57-21-17-55(18-22-57)33-39-13-15-47(49(31-39)63-3)67-37-41-35-59(53-51-41)25-27-65-29-30-66-28-26-60-36-42(52-54-60)38-68-48-16-14-40(32-50(48)64-4)34-56-19-23-58(24-20-56)44-10-6-8-12-46(44)62-2/h5-16,31-32,35-36H,17-30,33-34,37-38H2,1-4H3
InChIKeyLQTCRFLMOJHQHE-UHFFFAOYSA-N
XLogP5.44
TPSA148.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.12
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]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-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 53364225) is 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine is COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1.
What is the InChIKey of 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is LQTCRFLMOJHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64N10O8/c1-61-45-11-7-5-9-43(45)57-21-17-55(18-22-57)33-39-13-15-47(49(31-39)63-3)67-37-41-35-59(53-51-41)25-27-65-29-30-66-28-26-60-36-42(52-54-60)38-68-48-16-14-40(32-50(48)64-4)34-56-19-23-58(24-20-56)44-10-6-8-12-46(44)62-2/h5-16,31-32,35-36H,17-30,33-34,37-38H2,1-4H3.
What are the key properties of 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 933.12 g/mol, XLogP of 5.44, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53364225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).