1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone

C16H22N2O2 — CID 63876527

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone
SMILESCC1Cc2ccccc2N1C(=O)COC1CCNCC1
InChIInChI=1S/C16H22N2O2/c1-12-10-13-4-2-3-5-15(13)18(12)16(19)11-20-14-6-8-17-9-7-14/h2-5,12,14,17H,6-11H2,1H3
InChIKeyJERZNPPGWCJADS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.73
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone (PubChem CID 63876527) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone
PubChem CID63876527
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone
SMILESCC1Cc2ccccc2N1C(=O)COC1CCNCC1
InChIInChI=1S/C16H22N2O2/c1-12-10-13-4-2-3-5-15(13)18(12)16(19)11-20-14-6-8-17-9-7-14/h2-5,12,14,17H,6-11H2,1H3
InChIKeyJERZNPPGWCJADS-UHFFFAOYSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544547
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone
CID 63876701
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-bromobenzoate
CID 2429819

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone (CID 63876527) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone is CC1Cc2ccccc2N1C(=O)COC1CCNCC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone?
The InChIKey is JERZNPPGWCJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-10-13-4-2-3-5-15(13)18(12)16(19)11-20-14-6-8-17-9-7-14/h2-5,12,14,17H,6-11H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone has a molecular weight of 274.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 63876527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).