6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione

C15H24N4O2 — CID 103016837

IUPAC6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CCc2ccnn2C)C1=O
InChIInChI=1S/C15H24N4O2/c1-5-6-12-13(20)19(15(2,3)14(21)17-12)10-8-11-7-9-16-18(11)4/h7,9,12H,5-6,8,10H2,1-4H3,(H,17,21)
InChIKeyPPNUZVLLYWVVNH-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.87
Rot. Bonds5

About 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione

6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 103016837) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID103016837
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CCc2ccnn2C)C1=O
InChIInChI=1S/C15H24N4O2/c1-5-6-12-13(20)19(15(2,3)14(21)17-12)10-8-11-7-9-16-18(11)4/h7,9,12H,5-6,8,10H2,1-4H3,(H,17,21)
InChIKeyPPNUZVLLYWVVNH-UHFFFAOYSA-N
XLogP0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64872787
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879738
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
CID 103015554
1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
CID 103012757

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione (CID 103016837) is 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(CCc2ccnn2C)C1=O.
What is the InChIKey of 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is PPNUZVLLYWVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-6-12-13(20)19(15(2,3)14(21)17-12)10-8-11-7-9-16-18(11)4/h7,9,12H,5-6,8,10H2,1-4H3,(H,17,21).
What are the key properties of 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 103016837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).