4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one

C17H21N3O2 — CID 46980097

IUPAC4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc2cc(C)ccc2n1C
InChIInChI=1S/C17H21N3O2/c1-4-13-16(21)18-7-8-20(13)17(22)15-10-12-9-11(2)5-6-14(12)19(15)3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyRSXUEBZZMMZXLM-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.84
Rot. Bonds2

About 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one

4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 46980097) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
PubChem CID46980097
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc2cc(C)ccc2n1C
InChIInChI=1S/C17H21N3O2/c1-4-13-16(21)18-7-8-20(13)17(22)15-10-12-9-11(2)5-6-14(12)19(15)3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyRSXUEBZZMMZXLM-UHFFFAOYSA-N
XLogP1.84
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
CID 72903841
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
CID 99123476
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one (CID 46980097) is 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc2cc(C)ccc2n1C.
What is the InChIKey of 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is RSXUEBZZMMZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-13-16(21)18-7-8-20(13)17(22)15-10-12-9-11(2)5-6-14(12)19(15)3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,21).
What are the key properties of 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one?
4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 46980097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).