3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

C23H26N2O4 — CID 17088454

IUPAC3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCC1CCN(CN2C(=O)C(O)(CC(=O)c3ccccc3O)c3ccccc32)CC1
InChIInChI=1S/C23H26N2O4/c1-16-10-12-24(13-11-16)15-25-19-8-4-3-7-18(19)23(29,22(25)28)14-21(27)17-6-2-5-9-20(17)26/h2-9,16,26,29H,10-15H2,1H3
InChIKeyRDVSYGUNEABBBE-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.89
Rot. Bonds5

About 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (PubChem CID 17088454) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
PubChem CID17088454
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCC1CCN(CN2C(=O)C(O)(CC(=O)c3ccccc3O)c3ccccc32)CC1
InChIInChI=1S/C23H26N2O4/c1-16-10-12-24(13-11-16)15-25-19-8-4-3-7-18(19)23(29,22(25)28)14-21(27)17-6-2-5-9-20(17)26/h2-9,16,26,29H,10-15H2,1H3
InChIKeyRDVSYGUNEABBBE-UHFFFAOYSA-N
XLogP2.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
CID 2908702
(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one
CID 748064
(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162524
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
ethyl 2-[3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 2898105
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 40771718
3-hydroxy-1-(morpholin-4-ylmethyl)-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3805745
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 1425972
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425987
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-[(4-methylpiperazin-1-yl)methyl]indol-2-one
CID 28924579
(3S)-1-(azepan-1-ylmethyl)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 40771694
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 9350109

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (CID 17088454) is 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is CC1CCN(CN2C(=O)C(O)(CC(=O)c3ccccc3O)c3ccccc32)CC1.
What is the InChIKey of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The InChIKey is RDVSYGUNEABBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-10-12-24(13-11-16)15-25-19-8-4-3-7-18(19)23(29,22(25)28)14-21(27)17-6-2-5-9-20(17)26/h2-9,16,26,29H,10-15H2,1H3.
What are the key properties of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one has a molecular weight of 394.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 17088454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).