2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole

C31H44N4O2 — CID 150673498

IUPAC2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(N3CCN(C4CC(C)(C)NC(C)(C)C4)CC3)cc12
InChIInChI=1S/C31H44N4O2/c1-8-24-25-18-22(10-11-26(25)32-29(24)21-9-12-27(36-6)28(17-21)37-7)34-13-15-35(16-14-34)23-19-30(2,3)33-31(4,5)20-23/h9-12,17-18,23,32-33H,8,13-16,19-20H2,1-7H3
InChIKeyJGJDQYFFEUEGRG-UHFFFAOYSA-N
MW504.72 g/mol
LogP5.85
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole

2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole (PubChem CID 150673498) has the molecular formula C31H44N4O2 and a molecular weight of 504.72 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole
PubChem CID150673498
Molecular FormulaC31H44N4O2
Molecular Weight504.72 g/mol
Exact Mass504.35
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(N3CCN(C4CC(C)(C)NC(C)(C)C4)CC3)cc12
InChIInChI=1S/C31H44N4O2/c1-8-24-25-18-22(10-11-26(25)32-29(24)21-9-12-27(36-6)28(17-21)37-7)34-13-15-35(16-14-34)23-19-30(2,3)33-31(4,5)20-23/h9-12,17-18,23,32-33H,8,13-16,19-20H2,1-7H3
InChIKeyJGJDQYFFEUEGRG-UHFFFAOYSA-N
XLogP5.85
TPSA52.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 154639349
1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 154639333
[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 155210876
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
CID 155226591
5-(1-benzylpyrrolidin-3-yl)-3-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-1,2,4-oxadiazole
CID 154640026
5-[1-(2-chloropiperidin-1-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole
CID 175223781
2-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-4-(methylamino)piperidin-4-yl]acetonitrile
CID 150158949
2-(3,4-dimethoxyphenyl)-3-ethyl-5-[1-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-indole
CID 134230262
1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one
CID 155210878
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
CID 150682988
2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
CID 154641121

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole (CID 150673498) is 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(N3CCN(C4CC(C)(C)NC(C)(C)C4)CC3)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole?
The InChIKey is JGJDQYFFEUEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O2/c1-8-24-25-18-22(10-11-26(25)32-29(24)21-9-12-27(36-6)28(17-21)37-7)34-13-15-35(16-14-34)23-19-30(2,3)33-31(4,5)20-23/h9-12,17-18,23,32-33H,8,13-16,19-20H2,1-7H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole?
2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole has a molecular weight of 504.72 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole is sourced from PubChem (CID 150673498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).