3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione

C16H21N3O2 — CID 171103678

IUPAC3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione
SMILESCC(C)C1=CC=CC2C(C3CCC(=O)NC3=O)=NN(C)C12
InChIInChI=1S/C16H21N3O2/c1-9(2)10-5-4-6-11-14(18-19(3)15(10)11)12-7-8-13(20)17-16(12)21/h4-6,9,11-12,15H,7-8H2,1-3H3,(H,17,20,21)
InChIKeyZUFYFTFMWQXLQI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.48
Rot. Bonds2

About 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione

3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione (PubChem CID 171103678) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione
PubChem CID171103678
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione
SMILESCC(C)C1=CC=CC2C(C3CCC(=O)NC3=O)=NN(C)C12
InChIInChI=1S/C16H21N3O2/c1-9(2)10-5-4-6-11-14(18-19(3)15(10)11)12-7-8-13(20)17-16(12)21/h4-6,9,11-12,15H,7-8H2,1-3H3,(H,17,20,21)
InChIKeyZUFYFTFMWQXLQI-UHFFFAOYSA-N
XLogP1.48
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.48
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

3-(5-methyl-6-oxocyclohexa-2,4-dien-1-yl)piperidine-2,6-dione
CID 155680568
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione
CID 168752475
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
CID 176558861
3-(1,7,7-trimethylcyclohepta[c]pyrazol-3-yl)piperidine-2,6-dione
CID 175620442
3-(4-tert-butylpyrimidin-2-yl)piperidine-2,6-dione
CID 168842408
3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione
CID 166112677
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione (CID 171103678) is 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione is CC(C)C1=CC=CC2C(C3CCC(=O)NC3=O)=NN(C)C12.
What is the InChIKey of 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione?
The InChIKey is ZUFYFTFMWQXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9(2)10-5-4-6-11-14(18-19(3)15(10)11)12-7-8-13(20)17-16(12)21/h4-6,9,11-12,15H,7-8H2,1-3H3,(H,17,20,21).
What are the key properties of 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione?
3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-7-propan-2-yl-3a,7a-dihydroindazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 171103678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).