5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole

C31H36N2O3 — CID 10163111

IUPAC5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H36N2O3/c1-23-29-21-28(35-3)15-16-30(29)33(31(23)25-9-13-26(34-2)14-10-25)22-24-7-11-27(12-8-24)36-20-19-32-17-5-4-6-18-32/h7-16,21H,4-6,17-20,22H2,1-3H3
InChIKeyQEFAONBWYHMKGM-UHFFFAOYSA-N
MW484.64 g/mol
LogP6.55
Rot. Bonds9

About 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole

5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole (PubChem CID 10163111) has the molecular formula C31H36N2O3 and a molecular weight of 484.64 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
PubChem CID10163111
Molecular FormulaC31H36N2O3
Molecular Weight484.64 g/mol
Exact Mass484.27
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H36N2O3/c1-23-29-21-28(35-3)15-16-30(29)33(31(23)25-9-13-26(34-2)14-10-25)22-24-7-11-27(12-8-24)36-20-19-32-17-5-4-6-18-32/h7-16,21H,4-6,17-20,22H2,1-3H3
InChIKeyQEFAONBWYHMKGM-UHFFFAOYSA-N
XLogP6.55
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole (CID 10163111) is 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole is COc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The InChIKey is QEFAONBWYHMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O3/c1-23-29-21-28(35-3)15-16-30(29)33(31(23)25-9-13-26(34-2)14-10-25)22-24-7-11-27(12-8-24)36-20-19-32-17-5-4-6-18-32/h7-16,21H,4-6,17-20,22H2,1-3H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole has a molecular weight of 484.64 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole is sourced from PubChem (CID 10163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).