1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone

C10H18N2O — CID 123531751

IUPAC1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone
SMILESCC=C(C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O/c1-4-9(2)11-5-7-12(8-6-11)10(3)13/h4H,5-8H2,1-3H3
InChIKeyXSACCSNGGFKCRN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.07
Rot. Bonds1

About 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone

1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone (PubChem CID 123531751) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone
PubChem CID123531751
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone
SMILESCC=C(C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O/c1-4-9(2)11-5-7-12(8-6-11)10(3)13/h4H,5-8H2,1-3H3
InChIKeyXSACCSNGGFKCRN-UHFFFAOYSA-N
XLogP1.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-Methylbut-2-enyl)piperazin-1-yl]ethanone
CID 47012771
Piperazine, 1-acetyl-4-(2-propenyl)-
CID 17147468
1-[4-(5-Fluorohexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123929687
1-[4-[(1Z,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperazin-1-yl]ethanone
CID 155749593
1-(4-Prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 20829761
1-(3-Piperidin-1-yl-2,5-dihydropyrrol-1-yl)ethanone
CID 57881236
2,2-Dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one
CID 59741025
1-(4-Ethyl-2-methylidenepiperazin-1-yl)ethanone
CID 89019253
N-[2-[ethyl(prop-1-en-2-yl)amino]ethyl]-N-methylacetamide
CID 89020628
1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 89357858
1-methyl-3-(4-methylpiperazin-1-yl)-2H-pyrrol-5-one
CID 89881787
1,4-Ditert-butyl-5-methylidenepiperazin-2-one
CID 90134196

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone (CID 123531751) is 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone is CC=C(C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone?
The InChIKey is XSACCSNGGFKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(2)11-5-7-12(8-6-11)10(3)13/h4H,5-8H2,1-3H3.
What are the key properties of 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone?
1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-2-en-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 123531751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).