3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione

C15H13N3O3 — CID 167009263

IUPAC3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C3=CC=CC4=CC=CC(=C2O)N43)C(=O)N1
InChIInChI=1S/C15H13N3O3/c19-12-8-7-10(14(20)16-12)18-13-6-2-4-9-3-1-5-11(15(18)21)17(9)13/h1-6,10,21H,7-8H2,(H,16,19,20)
InChIKeyVQBCEJQPJHUMLZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.00
Rot. Bonds1

About 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione

3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione (PubChem CID 167009263) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione
PubChem CID167009263
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C3=CC=CC4=CC=CC(=C2O)N43)C(=O)N1
InChIInChI=1S/C15H13N3O3/c19-12-8-7-10(14(20)16-12)18-13-6-2-4-9-3-1-5-11(15(18)21)17(9)13/h1-6,10,21H,7-8H2,(H,16,19,20)
InChIKeyVQBCEJQPJHUMLZ-UHFFFAOYSA-N
XLogP1.00
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione
CID 177010708
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
CID 163373811
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
(1R,2R,6S,7S)-4-[(3R)-2,6-dioxopiperidin-3-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 76958691
2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
CID 163267813

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione (CID 167009263) is 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione is O=C1CCC(N2C3=CC=CC4=CC=CC(=C2O)N43)C(=O)N1.
What is the InChIKey of 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione?
The InChIKey is VQBCEJQPJHUMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-12-8-7-10(14(20)16-12)18-13-6-2-4-9-3-1-5-11(15(18)21)17(9)13/h1-6,10,21H,7-8H2,(H,16,19,20).
What are the key properties of 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione?
3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione has a molecular weight of 283.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167009263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).