3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione

C15H16N4O2 — CID 153310477

IUPAC3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c3c(c4cccnc42)CNCC3)C(=O)N1
InChIInChI=1S/C15H16N4O2/c20-13-4-3-12(15(21)18-13)19-11-5-7-16-8-10(11)9-2-1-6-17-14(9)19/h1-2,6,12,16H,3-5,7-8H2,(H,18,20,21)
InChIKeyCHVJENSPXPQBBX-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.66
Rot. Bonds1

About 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione

3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione (PubChem CID 153310477) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione
PubChem CID153310477
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c3c(c4cccnc42)CNCC3)C(=O)N1
InChIInChI=1S/C15H16N4O2/c20-13-4-3-12(15(21)18-13)19-11-5-7-16-8-10(11)9-2-1-6-17-14(9)19/h1-2,6,12,16H,3-5,7-8H2,(H,18,20,21)
InChIKeyCHVJENSPXPQBBX-UHFFFAOYSA-N
XLogP0.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)piperidine-2,6-dione
CID 153310470
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
CID 153390253
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 138695552
ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne
CID 176987810
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
CID 146598559
3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 138695172
3-(3-prop-1-en-2-ylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 155455512

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione (CID 153310477) is 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione is O=C1CCC(n2c3c(c4cccnc42)CNCC3)C(=O)N1.
What is the InChIKey of 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione?
The InChIKey is CHVJENSPXPQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-13-4-3-12(15(21)18-13)19-11-5-7-16-8-10(11)9-2-1-6-17-14(9)19/h1-2,6,12,16H,3-5,7-8H2,(H,18,20,21).
What are the key properties of 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione?
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione has a molecular weight of 284.32 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione is sourced from PubChem (CID 153310477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).