3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione

C14H16N4O2 — CID 177240385

IUPAC3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione
SMILESCc1ccc2c(c1)c(NC1CCC(=O)NC1=O)nn2C
InChIInChI=1S/C14H16N4O2/c1-8-3-5-11-9(7-8)13(17-18(11)2)15-10-4-6-12(19)16-14(10)20/h3,5,7,10H,4,6H2,1-2H3,(H,15,17)(H,16,19,20)
InChIKeyFAADBPPIMRFGGN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.10
Rot. Bonds2

About 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione

3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione (PubChem CID 177240385) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione
PubChem CID177240385
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione
SMILESCc1ccc2c(c1)c(NC1CCC(=O)NC1=O)nn2C
InChIInChI=1S/C14H16N4O2/c1-8-3-5-11-9(7-8)13(17-18(11)2)15-10-4-6-12(19)16-14(10)20/h3,5,7,10H,4,6H2,1-2H3,(H,15,17)(H,16,19,20)
InChIKeyFAADBPPIMRFGGN-UHFFFAOYSA-N
XLogP1.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione (CID 177240385) is 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione is Cc1ccc2c(c1)c(NC1CCC(=O)NC1=O)nn2C.
What is the InChIKey of 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione?
The InChIKey is FAADBPPIMRFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-3-5-11-9(7-8)13(17-18(11)2)15-10-4-6-12(19)16-14(10)20/h3,5,7,10H,4,6H2,1-2H3,(H,15,17)(H,16,19,20).
What are the key properties of 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione?
3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione has a molecular weight of 272.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 177240385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).