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

C24H30N2O3 — CID 25460872

IUPAC3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1c(CC(=O)N2CCC(O)CC2)c2c(n1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C24H30N2O3/c1-17-20(16-23(29)25-13-11-19(27)12-14-25)24-21(8-5-9-22(24)28)26(17)15-10-18-6-3-2-4-7-18/h2-4,6-7,19,27H,5,8-16H2,1H3
InChIKeyQYQLQSGKUDODJG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.08
Rot. Bonds5

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

3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 25460872) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
PubChem CID25460872
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1c(CC(=O)N2CCC(O)CC2)c2c(n1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C24H30N2O3/c1-17-20(16-23(29)25-13-11-19(27)12-14-25)24-21(8-5-9-22(24)28)26(17)15-10-18-6-3-2-4-7-18/h2-4,6-7,19,27H,5,8-16H2,1H3
InChIKeyQYQLQSGKUDODJG-UHFFFAOYSA-N
XLogP3.08
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one (CID 25460872) is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one is Cc1c(CC(=O)N2CCC(O)CC2)c2c(n1CCc1ccccc1)CCCC2=O.
What is the InChIKey of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is QYQLQSGKUDODJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-20(16-23(29)25-13-11-19(27)12-14-25)24-21(8-5-9-22(24)28)26(17)15-10-18-6-3-2-4-7-18/h2-4,6-7,19,27H,5,8-16H2,1H3.
What are the key properties of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one?
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 394.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 25460872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).