3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione

C21H23N3O2 — CID 166800756

IUPAC3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
SMILESCCC(C)(C)c1cnc2c(c1)c1ccccc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C21H23N3O2/c1-4-21(2,3)13-11-15-14-7-5-6-8-16(14)24(19(15)22-12-13)17-9-10-18(25)23-20(17)26/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,25,26)
InChIKeyDGTUXUWECGZRPZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.85
Rot. Bonds3

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

3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione (PubChem CID 166800756) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
PubChem CID166800756
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
SMILESCCC(C)(C)c1cnc2c(c1)c1ccccc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C21H23N3O2/c1-4-21(2,3)13-11-15-14-7-5-6-8-16(14)24(19(15)22-12-13)17-9-10-18(25)23-20(17)26/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,25,26)
InChIKeyDGTUXUWECGZRPZ-UHFFFAOYSA-N
XLogP3.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(3-prop-1-en-2-ylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 155455512
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
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-but-1-ynylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 167693243
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),3,5,10,12-hexaen-8-yl)piperidine-2,6-dione
CID 153310470
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
CID 146598559
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
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
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 151743530

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione (CID 166800756) is 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione is CCC(C)(C)c1cnc2c(c1)c1ccccc1n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
The InChIKey is DGTUXUWECGZRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-21(2,3)13-11-15-14-7-5-6-8-16(14)24(19(15)22-12-13)17-9-10-18(25)23-20(17)26/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,25,26).
What are the key properties of 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione has a molecular weight of 349.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione is sourced from PubChem (CID 166800756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).