[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone

C26H32N2O3 — CID 155210876

IUPAC[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCCC(C)(C)C3)cc12
InChIInChI=1S/C26H32N2O3/c1-6-19-20-14-18(25(29)28-13-7-12-26(2,3)16-28)8-10-21(20)27-24(19)17-9-11-22(30-4)23(15-17)31-5/h8-11,14-15,27H,6-7,12-13,16H2,1-5H3
InChIKeyGDVOOFUQRBFXHN-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.68
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone

[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 155210876) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID155210876
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCCC(C)(C)C3)cc12
InChIInChI=1S/C26H32N2O3/c1-6-19-20-14-18(25(29)28-13-7-12-26(2,3)16-28)8-10-21(20)27-24(19)17-9-11-22(30-4)23(15-17)31-5/h8-11,14-15,27H,6-7,12-13,16H2,1-5H3
InChIKeyGDVOOFUQRBFXHN-UHFFFAOYSA-N
XLogP5.68
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 150790938
1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one
CID 155210878
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
CID 150682988
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
CID 154641121
2-[[2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]amino]acetonitrile
CID 134231138
(1-tert-butylpyrrolidin-2-yl)-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]methanone
CID 175045698
4-[2-(3,4-dimethoxyphenyl)-3-ethyl-6-methyl-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175223776
[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-[2-(1-methylpiperidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155210909
2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole
CID 150673498
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone (CID 155210876) is [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCCC(C)(C)C3)cc12.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is GDVOOFUQRBFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-6-19-20-14-18(25(29)28-13-7-12-26(2,3)16-28)8-10-21(20)27-24(19)17-9-11-22(30-4)23(15-17)31-5/h8-11,14-15,27H,6-7,12-13,16H2,1-5H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 420.55 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 155210876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).