1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione

C17H20N2O3 — CID 7117507

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H20N2O3/c1-10-8-19(9-11(2)22-10)17(21)16(20)15-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,18H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyLTNMWCXEMKGURC-GHMZBOCLSA-N
MW300.36 g/mol
LogP2.29
Rot. Bonds2

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 7117507) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
PubChem CID7117507
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H20N2O3/c1-10-8-19(9-11(2)22-10)17(21)16(20)15-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,18H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyLTNMWCXEMKGURC-GHMZBOCLSA-N
XLogP2.29
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 166210029
1-(2-methyl-1H-indol-3-yl)-2-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethane-1,2-dione
CID 122251898
ethyl (3R)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 94117544
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8899178
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 38031159
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethane-1,2-dione
CID 43063930
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 86889608
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 27661508
1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90560341
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (CID 7117507) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is Cc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is LTNMWCXEMKGURC-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-8-19(9-11(2)22-10)17(21)16(20)15-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,18H,8-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 300.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 7117507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).