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

C17H24N2O — CID 5296275

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C17H24N2O/c1-13-7-9-18(10-8-13)12-17(20)19-14(2)11-15-5-3-4-6-16(15)19/h3-6,13-14H,7-12H2,1-2H3
InChIKeyIRPVWJATQJJTSH-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.70
Rot. Bonds2

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

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 5296275) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID5296275
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C17H24N2O/c1-13-7-9-18(10-8-13)12-17(20)19-14(2)11-15-5-3-4-6-16(15)19/h3-6,13-14H,7-12H2,1-2H3
InChIKeyIRPVWJATQJJTSH-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[(4-nitrophenyl)methyl]piperidin-1-yl]ethanone
CID 101346832
2-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;2-hydroxy-2-oxoacetate
CID 44665836
2-[4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 101346834
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251
2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 112829151
2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
CID 136522965

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 5296275) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2c3ccccc3CC2C)CC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is IRPVWJATQJJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-7-9-18(10-8-13)12-17(20)19-14(2)11-15-5-3-4-6-16(15)19/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).