3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione

C14H23N5O2 — CID 166116834

IUPAC3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCC(C)N(C)CCn1ccc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C14H23N5O2/c1-10(2)18(3)8-9-19-7-6-12(17-19)15-11-4-5-13(20)16-14(11)21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,17)(H,16,20,21)
InChIKeyUIYXXNRBALYILU-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.44
Rot. Bonds6

About 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione

3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione (PubChem CID 166116834) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
PubChem CID166116834
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCC(C)N(C)CCn1ccc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C14H23N5O2/c1-10(2)18(3)8-9-19-7-6-12(17-19)15-11-4-5-13(20)16-14(11)21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,17)(H,16,20,21)
InChIKeyUIYXXNRBALYILU-UHFFFAOYSA-N
XLogP0.44
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione (CID 166116834) is 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione is CC(C)N(C)CCn1ccc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The InChIKey is UIYXXNRBALYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)18(3)8-9-19-7-6-12(17-19)15-11-4-5-13(20)16-14(11)21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,17)(H,16,20,21).
What are the key properties of 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-[methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166116834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).