3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one

C12H13N3O3 — CID 43586643

IUPAC3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1CN(c2ccc3c(c2)NC(=O)C3O)CCN1
InChIInChI=1S/C12H13N3O3/c16-10-6-15(4-3-13-10)7-1-2-8-9(5-7)14-12(18)11(8)17/h1-2,5,11,17H,3-4,6H2,(H,13,16)(H,14,18)
InChIKeyQCDSFLATROUUKJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.39
Rot. Bonds1

About 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one

3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 43586643) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
PubChem CID43586643
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1CN(c2ccc3c(c2)NC(=O)C3O)CCN1
InChIInChI=1S/C12H13N3O3/c16-10-6-15(4-3-13-10)7-1-2-8-9(5-7)14-12(18)11(8)17/h1-2,5,11,17H,3-4,6H2,(H,13,16)(H,14,18)
InChIKeyQCDSFLATROUUKJ-UHFFFAOYSA-N
XLogP-0.39
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 63004308
6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 43586661
3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 62974329
5-fluoro-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 80758681
5-bromo-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79336678
4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722146
4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
CID 117005141
2-methyl-4-(3-oxopiperazin-1-yl)benzenecarbothioamide
CID 81278447
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
4-(3-isocyanatophenyl)piperazin-2-one
CID 156634856
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid
CID 117438268

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one (CID 43586643) is 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one is O=C1CN(c2ccc3c(c2)NC(=O)C3O)CCN1.
What is the InChIKey of 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is QCDSFLATROUUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-10-6-15(4-3-13-10)7-1-2-8-9(5-7)14-12(18)11(8)17/h1-2,5,11,17H,3-4,6H2,(H,13,16)(H,14,18).
What are the key properties of 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 247.25 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).