1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

C17H23N3O2 — CID 20954290

IUPAC1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCN1CCN(C(=O)C2Cc3ccccc3N2C(C)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-3-18-8-10-19(11-9-18)17(22)16-12-14-6-4-5-7-15(14)20(16)13(2)21/h4-7,16H,3,8-12H2,1-2H3
InChIKeyNPVCSHNOAQQZMK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.13
Rot. Bonds2

About 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 20954290) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID20954290
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCN1CCN(C(=O)C2Cc3ccccc3N2C(C)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-3-18-8-10-19(11-9-18)17(22)16-12-14-6-4-5-7-15(14)20(16)13(2)21/h4-7,16H,3,8-12H2,1-2H3
InChIKeyNPVCSHNOAQQZMK-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 110023787
1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86881473
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954460
ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
CID 92715776
1-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20876883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 20954290) is 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CCN1CCN(C(=O)C2Cc3ccccc3N2C(C)=O)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is NPVCSHNOAQQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-18-8-10-19(11-9-18)17(22)16-12-14-6-4-5-7-15(14)20(16)13(2)21/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 20954290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).