1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one

C24H30N2O3 — CID 42190267

IUPAC1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOC1CCN(C(=O)Cc2c3c(n(Cc4ccccc4)c2C)CCCC3=O)CC1
InChIInChI=1S/C24H30N2O3/c1-17-20(15-23(28)25-13-11-19(29-2)12-14-25)24-21(9-6-10-22(24)27)26(17)16-18-7-4-3-5-8-18/h3-5,7-8,19H,6,9-16H2,1-2H3
InChIKeyOJKWLOBGELDOFD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.54
Rot. Bonds5

About 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one

1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 42190267) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID42190267
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOC1CCN(C(=O)Cc2c3c(n(Cc4ccccc4)c2C)CCCC3=O)CC1
InChIInChI=1S/C24H30N2O3/c1-17-20(15-23(28)25-13-11-19(29-2)12-14-25)24-21(9-6-10-22(24)27)26(17)16-18-7-4-3-5-8-18/h3-5,7-8,19H,6,9-16H2,1-2H3
InChIKeyOJKWLOBGELDOFD-UHFFFAOYSA-N
XLogP3.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one with MolForge

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Related Compounds

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride
CID 154900219
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
CID 25460872
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 26394326
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 42150870
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 25292460
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)acetamide
CID 72872463
N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
CID 45213080
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
CID 25377422
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45194016
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
CID 42157239

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one (CID 42190267) is 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one is COC1CCN(C(=O)Cc2c3c(n(Cc4ccccc4)c2C)CCCC3=O)CC1.
What is the InChIKey of 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is OJKWLOBGELDOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-20(15-23(28)25-13-11-19(29-2)12-14-25)24-21(9-6-10-22(24)27)26(17)16-18-7-4-3-5-8-18/h3-5,7-8,19H,6,9-16H2,1-2H3.
What are the key properties of 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 394.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 42190267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).