3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole

C23H34N2O — CID 21313343

IUPAC3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
SMILESCOc1ccc2[nH]c(C)c(CCN3CCC(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C23H34N2O/c1-17-21(22-16-20(26-2)8-9-23(22)24-17)12-15-25-13-10-19(11-14-25)18-6-4-3-5-7-18/h8-9,16,18-19,24H,3-7,10-15H2,1-2H3
InChIKeyGRPWBQYDNLSHCW-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.32
Rot. Bonds5

About 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole

3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole (PubChem CID 21313343) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
PubChem CID21313343
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
SMILESCOc1ccc2[nH]c(C)c(CCN3CCC(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C23H34N2O/c1-17-21(22-16-20(26-2)8-9-23(22)24-17)12-15-25-13-10-19(11-14-25)18-6-4-3-5-7-18/h8-9,16,18-19,24H,3-7,10-15H2,1-2H3
InChIKeyGRPWBQYDNLSHCW-UHFFFAOYSA-N
XLogP5.32
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
CID 21313363
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3586267
[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
CID 21313326
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole
CID 15157668
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole?
The IUPAC name of 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole (CID 21313343) is 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole.
What is the SMILES notation for 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole?
The canonical SMILES for 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole is COc1ccc2[nH]c(C)c(CCN3CCC(C4CCCCC4)CC3)c2c1.
What is the InChIKey of 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole?
The InChIKey is GRPWBQYDNLSHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-17-21(22-16-20(26-2)8-9-23(22)24-17)12-15-25-13-10-19(11-14-25)18-6-4-3-5-7-18/h8-9,16,18-19,24H,3-7,10-15H2,1-2H3.
What are the key properties of 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole?
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole has a molecular weight of 354.54 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole is sourced from PubChem (CID 21313343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).