5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one

C21H24N2O2 — CID 170508464

IUPAC5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3cccc(CN4CCC(O)CC4)c3)ccc2C1=O
InChIInChI=1S/C21H24N2O2/c1-22-14-18-12-17(5-6-20(18)21(22)25)16-4-2-3-15(11-16)13-23-9-7-19(24)8-10-23/h2-6,11-12,19,24H,7-10,13-14H2,1H3
InChIKeyYLWCEYADYBCBRD-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.90
Rot. Bonds3

About 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one

5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one (PubChem CID 170508464) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one
PubChem CID170508464
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3cccc(CN4CCC(O)CC4)c3)ccc2C1=O
InChIInChI=1S/C21H24N2O2/c1-22-14-18-12-17(5-6-20(18)21(22)25)16-4-2-3-15(11-16)13-23-9-7-19(24)8-10-23/h2-6,11-12,19,24H,7-10,13-14H2,1H3
InChIKeyYLWCEYADYBCBRD-UHFFFAOYSA-N
XLogP2.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-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

2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376
3-[6-[1-methyl-5-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075888
(3S)-3-[6-[1-methyl-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577514
N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 155505202
1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol
CID 166377132
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one
CID 170512727
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
3-[6-[4-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206080
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one (CID 170508464) is 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one is CN1Cc2cc(-c3cccc(CN4CCC(O)CC4)c3)ccc2C1=O.
What is the InChIKey of 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one?
The InChIKey is YLWCEYADYBCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22-14-18-12-17(5-6-20(18)21(22)25)16-4-2-3-15(11-16)13-23-9-7-19(24)8-10-23/h2-6,11-12,19,24H,7-10,13-14H2,1H3.
What are the key properties of 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one?
5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one has a molecular weight of 336.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 170508464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).