1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine

C62H71N5O7 — CID 87990998

IUPAC1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine
SMILESCOc1ccccc1COCCCOc1ccc(C2CCNCC2N(Cc2ccc3[nH]ccc3c2)N(Cc2ccc3occc3c2)C2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1
InChIInChI=1S/C62H71N5O7/c1-68-60-11-5-3-9-51(60)43-70-32-7-34-72-53-19-15-47(16-20-53)55-26-29-63-39-58(55)66(41-45-13-23-57-49(37-45)25-31-65-57)67(42-46-14-24-62-50(38-46)28-36-74-62)59-40-64-30-27-56(59)48-17-21-54(22-18-48)73-35-8-33-71-44-52-10-4-6-12-61(52)69-2/h3-6,9-25,28,31,36-38,55-56,58-59,63-65H,7-8,26-27,29-30,32-35,39-44H2,1-2H3
InChIKeyWRSUCENUYDEJDW-UHFFFAOYSA-N
MW998.28 g/mol
LogP11.41
Rot. Bonds25

About 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine

1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine (PubChem CID 87990998) has the molecular formula C62H71N5O7 and a molecular weight of 998.28 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine
PubChem CID87990998
Molecular FormulaC62H71N5O7
Molecular Weight998.28 g/mol
Exact Mass997.54
IUPAC Name1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine
SMILESCOc1ccccc1COCCCOc1ccc(C2CCNCC2N(Cc2ccc3[nH]ccc3c2)N(Cc2ccc3occc3c2)C2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1
InChIInChI=1S/C62H71N5O7/c1-68-60-11-5-3-9-51(60)43-70-32-7-34-72-53-19-15-47(16-20-53)55-26-29-63-39-58(55)66(41-45-13-23-57-49(37-45)25-31-65-57)67(42-46-14-24-62-50(38-46)28-36-74-62)59-40-64-30-27-56(59)48-17-21-54(22-18-48)73-35-8-33-71-44-52-10-4-6-12-61(52)69-2/h3-6,9-25,28,31,36-38,55-56,58-59,63-65H,7-8,26-27,29-30,32-35,39-44H2,1-2H3
InChIKeyWRSUCENUYDEJDW-UHFFFAOYSA-N
XLogP11.41
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500998.28
LogP ≤ 511.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine?
The IUPAC name of 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine (CID 87990998) is 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine.
What is the SMILES notation for 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine?
The canonical SMILES for 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine is COc1ccccc1COCCCOc1ccc(C2CCNCC2N(Cc2ccc3[nH]ccc3c2)N(Cc2ccc3occc3c2)C2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1.
What is the InChIKey of 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine?
The InChIKey is WRSUCENUYDEJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H71N5O7/c1-68-60-11-5-3-9-51(60)43-70-32-7-34-72-53-19-15-47(16-20-53)55-26-29-63-39-58(55)66(41-45-13-23-57-49(37-45)25-31-65-57)67(42-46-14-24-62-50(38-46)28-36-74-62)59-40-64-30-27-56(59)48-17-21-54(22-18-48)73-35-8-33-71-44-52-10-4-6-12-61(52)69-2/h3-6,9-25,28,31,36-38,55-56,58-59,63-65H,7-8,26-27,29-30,32-35,39-44H2,1-2H3.
What are the key properties of 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine?
1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine has a molecular weight of 998.28 g/mol, XLogP of 11.41, 25 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine is sourced from PubChem (CID 87990998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).