5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole

C34H50N2O2 — CID 54515191

IUPAC5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C34H50N2O2/c1-28-32-27-31(38-3)21-22-33(32)36(34(28)29-17-19-30(37-2)20-18-29)26-16-11-9-7-5-4-6-8-10-13-23-35-24-14-12-15-25-35/h17-22,27H,4-16,23-26H2,1-3H3
InChIKeyYLYAFULWLLMUFV-UHFFFAOYSA-N
MW518.79 g/mol
LogP9.02
Rot. Bonds16

About 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole

5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole (PubChem CID 54515191) has the molecular formula C34H50N2O2 and a molecular weight of 518.79 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
PubChem CID54515191
Molecular FormulaC34H50N2O2
Molecular Weight518.79 g/mol
Exact Mass518.39
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C34H50N2O2/c1-28-32-27-31(38-3)21-22-33(32)36(34(28)29-17-19-30(37-2)20-18-29)26-16-11-9-7-5-4-6-8-10-13-23-35-24-14-12-15-25-35/h17-22,27H,4-16,23-26H2,1-3H3
InChIKeyYLYAFULWLLMUFV-UHFFFAOYSA-N
XLogP9.02
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole with MolForge

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

Launch Full Analysis

Related Compounds

5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 15925637
2-(4-hydroxyphenyl)-3-methyl-1-(8-pyrrolidin-1-yloctyl)indol-5-ol
CID 15925649
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204
2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
CID 15925647
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
CID 15925641
2-[4-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]butyl]isoindole-1,3-dione
CID 14873552
6-[5-methoxy-3-methyl-2-(4-phenylsulfanylphenyl)indol-1-yl]-1-pyrrolidin-1-ylhexan-1-one
CID 22079874
3-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]propyl methanesulfonate
CID 139615904
N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide
CID 15285893
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(8-pyridin-2-ylsulfanyloctyl)indole
CID 18679830
N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methyl-1-phenylmethanesulfonamide
CID 15285894
6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 14873569

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole (CID 54515191) is 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole is COc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCCCCCCCCCN2CCCCC2)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole?
The InChIKey is YLYAFULWLLMUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O2/c1-28-32-27-31(38-3)21-22-33(32)36(34(28)29-17-19-30(37-2)20-18-29)26-16-11-9-7-5-4-6-8-10-13-23-35-24-14-12-15-25-35/h17-22,27H,4-16,23-26H2,1-3H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole?
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole has a molecular weight of 518.79 g/mol, XLogP of 9.02, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole is sourced from PubChem (CID 54515191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).