5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one

C14H20N4O3 — CID 70751120

IUPAC5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H20N4O3/c1-3-4-5-11-14(21)17(2)6-7-18(11)13(20)10-8-16-12(19)9-15-10/h8-9,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyJEWWBNCGPWZSFW-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.24
Rot. Bonds4

About 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one

5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 70751120) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID70751120
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H20N4O3/c1-3-4-5-11-14(21)17(2)6-7-18(11)13(20)10-8-16-12(19)9-15-10/h8-9,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyJEWWBNCGPWZSFW-UHFFFAOYSA-N
XLogP0.24
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one (CID 70751120) is 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is JEWWBNCGPWZSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-4-5-11-14(21)17(2)6-7-18(11)13(20)10-8-16-12(19)9-15-10/h8-9,11H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 70751120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).