1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione

C19H24N2O2 — CID 7087156

IUPAC1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
SMILESCC[C@@H]1CCCCN1C(=O)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H24N2O2/c1-4-14-9-7-8-12-21(14)19(23)18(22)17-13(2)20(3)16-11-6-5-10-15(16)17/h5-6,10-11,14H,4,7-9,12H2,1-3H3/t14-/m1/s1
InChIKeySTZPAGMAKCEGQS-CQSZACIVSA-N
MW312.41 g/mol
LogP3.46
Rot. Bonds3

About 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione

1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione (PubChem CID 7087156) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
PubChem CID7087156
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
SMILESCC[C@@H]1CCCCN1C(=O)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H24N2O2/c1-4-14-9-7-8-12-21(14)19(23)18(22)17-13(2)20(3)16-11-6-5-10-15(16)17/h5-6,10-11,14H,4,7-9,12H2,1-3H3/t14-/m1/s1
InChIKeySTZPAGMAKCEGQS-CQSZACIVSA-N
XLogP3.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 113211418
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
ethyl (3R)-1-[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 7087159
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
CID 54774341
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7087317

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione (CID 7087156) is 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione is CC[C@@H]1CCCCN1C(=O)C(=O)c1c(C)n(C)c2ccccc12.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione?
The InChIKey is STZPAGMAKCEGQS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-14-9-7-8-12-21(14)19(23)18(22)17-13(2)20(3)16-11-6-5-10-15(16)17/h5-6,10-11,14H,4,7-9,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione?
1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione has a molecular weight of 312.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 7087156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).