3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione

C16H13N3O2 — CID 138728131

IUPAC3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2c3ccccc3c3cccnc32)C(=O)N1
InChIInChI=1S/C16H13N3O2/c20-14-8-7-13(16(21)18-14)19-12-6-2-1-4-10(12)11-5-3-9-17-15(11)19/h1-6,9,13H,7-8H2,(H,18,20,21)
InChIKeyFAHOWQDCOIMFKQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.17
Rot. Bonds1

About 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione

3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione (PubChem CID 138728131) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
PubChem CID138728131
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2c3ccccc3c3cccnc32)C(=O)N1
InChIInChI=1S/C16H13N3O2/c20-14-8-7-13(16(21)18-14)19-12-6-2-1-4-10(12)11-5-3-9-17-15(11)19/h1-6,9,13H,7-8H2,(H,18,20,21)
InChIKeyFAHOWQDCOIMFKQ-UHFFFAOYSA-N
XLogP2.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.17
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-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
CID 153390253
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-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 138695552
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
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
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
CID 146598559
3-(3-prop-1-en-2-ylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 155455512
3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 166800756
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
3-(4-but-1-ynylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 167693243

Frequently Asked Questions

What is the IUPAC name of 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione?
The IUPAC name of 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione (CID 138728131) is 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione?
The canonical SMILES for 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione is O=C1CCC(n2c3ccccc3c3cccnc32)C(=O)N1.
What is the InChIKey of 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione?
The InChIKey is FAHOWQDCOIMFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14-8-7-13(16(21)18-14)19-12-6-2-1-4-10(12)11-5-3-9-17-15(11)19/h1-6,9,13H,7-8H2,(H,18,20,21).
What are the key properties of 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione?
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione has a molecular weight of 279.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione is sourced from PubChem (CID 138728131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).