2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

C18H25N3O — CID 162628448

IUPAC2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCC1CN(C2CC2)CCN1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O/c1-14-12-20(16-6-7-16)11-10-19(14)13-18(22)21-9-8-15-4-2-3-5-17(15)21/h2-5,14,16H,6-13H2,1H3
InChIKeyDVYCJTRYLBZRSO-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 162628448) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID162628448
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCC1CN(C2CC2)CCN1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O/c1-14-12-20(16-6-7-16)11-10-19(14)13-18(22)21-9-8-15-4-2-3-5-17(15)21/h2-5,14,16H,6-13H2,1H3
InChIKeyDVYCJTRYLBZRSO-UHFFFAOYSA-N
XLogP1.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 115486415
1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 17479588
1-(2,3-dihydroindol-1-yl)-2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 72878862
1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778930
1-(2,3-dihydroindol-1-yl)-2-[(2S,6R)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778929
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 95610917
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 162628448) is 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is CC1CN(C2CC2)CCN1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is DVYCJTRYLBZRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-12-20(16-6-7-16)11-10-19(14)13-18(22)21-9-8-15-4-2-3-5-17(15)21/h2-5,14,16H,6-13H2,1H3.
What are the key properties of 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 299.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 162628448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).