3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione

C16H13N3O3 — CID 170522835

IUPAC3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione
SMILESCc1cc2c3c(nccc3c1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H13N3O3/c1-8-6-9-4-5-17-14-13(9)10(7-8)16(22)19(14)11-2-3-12(20)18-15(11)21/h4-7,11H,2-3H2,1H3,(H,18,20,21)
InChIKeyKHUUZLUNUZZCRZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.31
Rot. Bonds1

About 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione

3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione (PubChem CID 170522835) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione
PubChem CID170522835
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione
SMILESCc1cc2c3c(nccc3c1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H13N3O3/c1-8-6-9-4-5-17-14-13(9)10(7-8)16(22)19(14)11-2-3-12(20)18-15(11)21/h4-7,11H,2-3H2,1H3,(H,18,20,21)
InChIKeyKHUUZLUNUZZCRZ-UHFFFAOYSA-N
XLogP1.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 170522400
3-(10-chloro-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 163259400
3-(10-bromo-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 167009359
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
3-(6-bromo-3-oxo-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 163259141
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
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
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
CID 166155279

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione (CID 170522835) is 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione is Cc1cc2c3c(nccc3c1)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione?
The InChIKey is KHUUZLUNUZZCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-8-6-9-4-5-17-14-13(9)10(7-8)16(22)19(14)11-2-3-12(20)18-15(11)21/h4-7,11H,2-3H2,1H3,(H,18,20,21).
What are the key properties of 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione?
3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione has a molecular weight of 295.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 170522835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).