1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one

C10H16N2O2 — CID 130117794

IUPAC1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H16N2O2/c1-8(2)10(14)12-6-4-11(5-7-12)9(3)13/h1,4-7H2,2-3H3
InChIKeyNDVJSVXKRWDJBS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds1

About 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one

1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one (PubChem CID 130117794) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
PubChem CID130117794
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H16N2O2/c1-8(2)10(14)12-6-4-11(5-7-12)9(3)13/h1,4-7H2,2-3H3
InChIKeyNDVJSVXKRWDJBS-UHFFFAOYSA-N
XLogP0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylprop-2-enoyl)piperazine-1-carbonyl chloride
CID 19349359
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
2-methyl-1-[4-[3-[1-(2-methylprop-2-enoyl)piperidin-4-yl]propyl]piperidin-1-yl]prop-2-en-1-one
CID 91694707
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 71318871
1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone
CID 131971579
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
1-(azetidin-1-yl)ethanone
CID 14061673

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one (CID 130117794) is 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one?
The InChIKey is NDVJSVXKRWDJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)10(14)12-6-4-11(5-7-12)9(3)13/h1,4-7H2,2-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one?
1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 130117794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).