2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H24N4O — CID 46555829

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1Cc2ccccc2N1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O/c1-16-14-17-6-2-3-7-18(17)24(16)15-20(25)23-12-10-22(11-13-23)19-8-4-5-9-21-19/h2-9,16H,10-15H2,1H3
InChIKeyBHFQOKXRZYAXHE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 46555829) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID46555829
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1Cc2ccccc2N1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O/c1-16-14-17-6-2-3-7-18(17)24(16)15-20(25)23-12-10-22(11-13-23)19-8-4-5-9-21-19/h2-9,16H,10-15H2,1H3
InChIKeyBHFQOKXRZYAXHE-UHFFFAOYSA-N
XLogP2.18
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108965609
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46352640
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
1-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 25329298
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1-(2-methoxyphenyl)-3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 46980979
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 46555829) is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CC1Cc2ccccc2N1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BHFQOKXRZYAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-14-17-6-2-3-7-18(17)24(16)15-20(25)23-12-10-22(11-13-23)19-8-4-5-9-21-19/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 46555829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).