5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde

C24H28N2O2 — CID 166851176

IUPAC5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde
SMILESCCc1c(-c2ccc(OC)c(C=O)c2)[nH]c2cc(C)c(C3CCNCC3)cc12
InChIInChI=1S/C24H28N2O2/c1-4-19-21-13-20(16-7-9-25-10-8-16)15(2)11-22(21)26-24(19)17-5-6-23(28-3)18(12-17)14-27/h5-6,11-14,16,25-26H,4,7-10H2,1-3H3
InChIKeyHFBMGAGGSOFXHP-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.99
Rot. Bonds5

About 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde

5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde (PubChem CID 166851176) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde
PubChem CID166851176
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde
SMILESCCc1c(-c2ccc(OC)c(C=O)c2)[nH]c2cc(C)c(C3CCNCC3)cc12
InChIInChI=1S/C24H28N2O2/c1-4-19-21-13-20(16-7-9-25-10-8-16)15(2)11-22(21)26-24(19)17-5-6-23(28-3)18(12-17)14-27/h5-6,11-14,16,25-26H,4,7-10H2,1-3H3
InChIKeyHFBMGAGGSOFXHP-UHFFFAOYSA-N
XLogP4.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-ethyl-2-(3-formyl-4-methoxyphenyl)-1H-indol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 166754131
tert-butyl 4-[3-ethyl-2-(3-formyl-4-methoxyphenyl)-6-methyl-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166851210
[1-[4-[3-ethyl-2-(3-formyl-4-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 166754126
4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
CID 117456299
2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
CID 155226591
4-methoxy-3-piperidin-4-ylbenzaldehyde
CID 166844972
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741
[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)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole;hydrochloride
CID 134231013
4-[2-(3,4-dimethoxyphenyl)-3-ethyl-6-methyl-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175223776
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
CID 150682988
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde (CID 166851176) is 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde is CCc1c(-c2ccc(OC)c(C=O)c2)[nH]c2cc(C)c(C3CCNCC3)cc12.
What is the InChIKey of 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde?
The InChIKey is HFBMGAGGSOFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-19-21-13-20(16-7-9-25-10-8-16)15(2)11-22(21)26-24(19)17-5-6-23(28-3)18(12-17)14-27/h5-6,11-14,16,25-26H,4,7-10H2,1-3H3.
What are the key properties of 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde?
5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde has a molecular weight of 376.50 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde is sourced from PubChem (CID 166851176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).