3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one

C18H30N4O2 — CID 56751398

IUPAC3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCN(CC(C)C)C(=O)C1C
InChIInChI=1S/C18H30N4O2/c1-12(2)11-21-9-10-22(15(5)18(21)24)17(23)8-7-16-13(3)19-20(6)14(16)4/h12,15H,7-11H2,1-6H3
InChIKeyOPKSZVWXCDZRDT-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.68
Rot. Bonds5

About 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one

3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one (PubChem CID 56751398) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one
PubChem CID56751398
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCN(CC(C)C)C(=O)C1C
InChIInChI=1S/C18H30N4O2/c1-12(2)11-21-9-10-22(15(5)18(21)24)17(23)8-7-16-13(3)19-20(6)14(16)4/h12,15H,7-11H2,1-6H3
InChIKeyOPKSZVWXCDZRDT-UHFFFAOYSA-N
XLogP1.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one (CID 56751398) is 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one is Cc1nn(C)c(C)c1CCC(=O)N1CCN(CC(C)C)C(=O)C1C.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one?
The InChIKey is OPKSZVWXCDZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(2)11-21-9-10-22(15(5)18(21)24)17(23)8-7-16-13(3)19-20(6)14(16)4/h12,15H,7-11H2,1-6H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one?
3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one has a molecular weight of 334.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 56751398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).