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

C11H17N5O2 — CID 166117102

IUPAC3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCNCCn1ccc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H17N5O2/c1-12-5-7-16-6-4-9(15-16)13-8-2-3-10(17)14-11(8)18/h4,6,8,12H,2-3,5,7H2,1H3,(H,13,15)(H,14,17,18)
InChIKeyCPZSSUNUVVDFRM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.68
Rot. Bonds5

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

3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione (PubChem CID 166117102) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
PubChem CID166117102
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCNCCn1ccc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H17N5O2/c1-12-5-7-16-6-4-9(15-16)13-8-2-3-10(17)14-11(8)18/h4,6,8,12H,2-3,5,7H2,1H3,(H,13,15)(H,14,17,18)
InChIKeyCPZSSUNUVVDFRM-UHFFFAOYSA-N
XLogP-0.68
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
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-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione (CID 166117102) is 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione is CNCCn1ccc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The InChIKey is CPZSSUNUVVDFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-12-5-7-16-6-4-9(15-16)13-8-2-3-10(17)14-11(8)18/h4,6,8,12H,2-3,5,7H2,1H3,(H,13,15)(H,14,17,18).
What are the key properties of 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione?
3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166117102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).