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

C60H84N10O6 — CID 53364155

IUPAC1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1
InChIInChI=1S/C60H84N10O6/c1-71-55-25-13-11-23-53(55)67-37-33-65(34-38-67)45-49-27-29-57(59(43-49)73-3)75-41-19-15-21-51-47-69(63-61-51)31-17-9-7-5-6-8-10-18-32-70-48-52(62-64-70)22-16-20-42-76-58-30-28-50(44-60(58)74-4)46-66-35-39-68(40-36-66)54-24-12-14-26-56(54)72-2/h11-14,23-30,43-44,47-48H,5-10,15-22,31-42,45-46H2,1-4H3
InChIKeyKGEGCSUUIDNIBO-UHFFFAOYSA-N
MW1041.40 g/mol
LogP10.17
Rot. Bonds33

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

1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53364155) has the molecular formula C60H84N10O6 and a molecular weight of 1041.40 g/mol. Its IUPAC name is 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53364155
Molecular FormulaC60H84N10O6
Molecular Weight1041.40 g/mol
Exact Mass1040.66
IUPAC Name1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1
InChIInChI=1S/C60H84N10O6/c1-71-55-25-13-11-23-53(55)67-37-33-65(34-38-67)45-49-27-29-57(59(43-49)73-3)75-41-19-15-21-51-47-69(63-61-51)31-17-9-7-5-6-8-10-18-32-70-48-52(62-64-70)22-16-20-42-76-58-30-28-50(44-60(58)74-4)46-66-35-39-68(40-36-66)54-24-12-14-26-56(54)72-2/h11-14,23-30,43-44,47-48H,5-10,15-22,31-42,45-46H2,1-4H3
InChIKeyKGEGCSUUIDNIBO-UHFFFAOYSA-N
XLogP10.17
TPSA129.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.40
LogP ≤ 510.17
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-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 53364155) is 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine is COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1.
What is the InChIKey of 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is KGEGCSUUIDNIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H84N10O6/c1-71-55-25-13-11-23-53(55)67-37-33-65(34-38-67)45-49-27-29-57(59(43-49)73-3)75-41-19-15-21-51-47-69(63-61-51)31-17-9-7-5-6-8-10-18-32-70-48-52(62-64-70)22-16-20-42-76-58-30-28-50(44-60(58)74-4)46-66-35-39-68(40-36-66)54-24-12-14-26-56(54)72-2/h11-14,23-30,43-44,47-48H,5-10,15-22,31-42,45-46H2,1-4H3.
What are the key properties of 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 1041.40 g/mol, XLogP of 10.17, 33 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53364155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).