5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one

C13H17N3O2 — CID 142893273

IUPAC5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one
SMILESNc1cccc2c1CN(C1CCC(=O)NC1)C2O
InChIInChI=1S/C13H17N3O2/c14-11-3-1-2-9-10(11)7-16(13(9)18)8-4-5-12(17)15-6-8/h1-3,8,13,18H,4-7,14H2,(H,15,17)
InChIKeyXANMRFJHLHOEFI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.35
Rot. Bonds1

About 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one

5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one (PubChem CID 142893273) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one
PubChem CID142893273
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one
SMILESNc1cccc2c1CN(C1CCC(=O)NC1)C2O
InChIInChI=1S/C13H17N3O2/c14-11-3-1-2-9-10(11)7-16(13(9)18)8-4-5-12(17)15-6-8/h1-3,8,13,18H,4-7,14H2,(H,15,17)
InChIKeyXANMRFJHLHOEFI-UHFFFAOYSA-N
XLogP0.35
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 176669538
3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170143097
(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol
CID 129379706
5-amino-1,2,3,4-tetrahydroquinolin-3-ol
CID 59216604
4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 139448254
(5S)-5-hydroxypiperidin-2-one
CID 10964456
3-[4-[(4-chlorophenyl)methoxy]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 163697364
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(4-hydroxy-1-sulfanyl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 176674099
(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 103866804
2-(6-oxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55247004
2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide
CID 175145574

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one?
The IUPAC name of 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one (CID 142893273) is 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one.
What is the SMILES notation for 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one?
The canonical SMILES for 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one is Nc1cccc2c1CN(C1CCC(=O)NC1)C2O.
What is the InChIKey of 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one?
The InChIKey is XANMRFJHLHOEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11-3-1-2-9-10(11)7-16(13(9)18)8-4-5-12(17)15-6-8/h1-3,8,13,18H,4-7,14H2,(H,15,17).
What are the key properties of 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one?
5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one is sourced from PubChem (CID 142893273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).