3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

C15H22N4O2 — CID 64885382

IUPAC3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)C(C)(C)N(CCn2cccn2)C1=O
InChIInChI=1S/C15H22N4O2/c1-14(2)12(20)17-15(3,11-5-6-11)13(21)19(14)10-9-18-8-4-7-16-18/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)
InChIKeyAGVPIPFFSWMUPH-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.79
Rot. Bonds4

About 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (PubChem CID 64885382) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
PubChem CID64885382
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)C(C)(C)N(CCn2cccn2)C1=O
InChIInChI=1S/C15H22N4O2/c1-14(2)12(20)17-15(3,11-5-6-11)13(21)19(14)10-9-18-8-4-7-16-18/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)
InChIKeyAGVPIPFFSWMUPH-UHFFFAOYSA-N
XLogP0.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (CID 64885382) is 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is CC1(C2CC2)NC(=O)C(C)(C)N(CCn2cccn2)C1=O.
What is the InChIKey of 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The InChIKey is AGVPIPFFSWMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2)12(20)17-15(3,11-5-6-11)13(21)19(14)10-9-18-8-4-7-16-18/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20).
What are the key properties of 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).