3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione

C17H15N3O2 — CID 142616477

IUPAC3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
SMILESCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C17H15N3O2/c1-10-4-2-6-12-15(10)11-5-3-9-18-16(11)20(12)13-7-8-14(21)19-17(13)22/h2-6,9,13H,7-8H2,1H3,(H,19,21,22)
InChIKeyCGQNQSFXIYHNOC-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.48
Rot. Bonds1

About 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione

3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione (PubChem CID 142616477) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
PubChem CID142616477
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
SMILESCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C17H15N3O2/c1-10-4-2-6-12-15(10)11-5-3-9-18-16(11)20(12)13-7-8-14(21)19-17(13)22/h2-6,9,13H,7-8H2,1H3,(H,19,21,22)
InChIKeyCGQNQSFXIYHNOC-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.48
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

ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
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-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 138695172
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),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-(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
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-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione (CID 142616477) is 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione is Cc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
The InChIKey is CGQNQSFXIYHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-4-2-6-12-15(10)11-5-3-9-18-16(11)20(12)13-7-8-14(21)19-17(13)22/h2-6,9,13H,7-8H2,1H3,(H,19,21,22).
What are the key properties of 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione has a molecular weight of 293.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione is sourced from PubChem (CID 142616477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).