1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

C17H22N2O2 — CID 53014603

IUPAC1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(C(=O)N3CCC(C)CC3)cc21
InChIInChI=1S/C17H22N2O2/c1-12-5-8-18(9-6-12)17(21)15-4-3-14-7-10-19(13(2)20)16(14)11-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyDRIMZFMBUKHBOT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds1

About 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 53014603) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID53014603
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(C(=O)N3CCC(C)CC3)cc21
InChIInChI=1S/C17H22N2O2/c1-12-5-8-18(9-6-12)17(21)15-4-3-14-7-10-19(13(2)20)16(14)11-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyDRIMZFMBUKHBOT-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone
CID 134369269
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 53014611
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one
CID 158565667
1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
tert-butyl N-[[1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidin-4-yl]methyl]carbamate
CID 52819846
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642612

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 53014603) is 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(C(=O)N3CCC(C)CC3)cc21.
What is the InChIKey of 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DRIMZFMBUKHBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-8-18(9-6-12)17(21)15-4-3-14-7-10-19(13(2)20)16(14)11-15/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 53014603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).