3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one

C17H28N4O2 — CID 70788238

IUPAC3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cc(CCC)nn1C
InChIInChI=1S/C17H28N4O2/c1-5-7-9-14-16(22)19(3)10-11-21(14)17(23)15-12-13(8-6-2)18-20(15)4/h12,14H,5-11H2,1-4H3
InChIKeyZTHWZNXSOLTPPY-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.85
Rot. Bonds6

About 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one

3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 70788238) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID70788238
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cc(CCC)nn1C
InChIInChI=1S/C17H28N4O2/c1-5-7-9-14-16(22)19(3)10-11-21(14)17(23)15-12-13(8-6-2)18-20(15)4/h12,14H,5-11H2,1-4H3
InChIKeyZTHWZNXSOLTPPY-UHFFFAOYSA-N
XLogP1.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one
CID 131927212
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 72878704
[(4aR,7aS)-1-ethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70715337
(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 125174632
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
CID 95122588
3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
CID 70783669
(3S)-3-butyl-1-methyl-4-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-2-one
CID 97207797

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one (CID 70788238) is 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1cc(CCC)nn1C.
What is the InChIKey of 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is ZTHWZNXSOLTPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-7-9-14-16(22)19(3)10-11-21(14)17(23)15-12-13(8-6-2)18-20(15)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one?
3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 70788238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).