1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone

C9H16N2O — CID 176676947

IUPAC1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
SMILESC=C(C)C1CNCCN1C(C)=O
InChIInChI=1S/C9H16N2O/c1-7(2)9-6-10-4-5-11(9)8(3)12/h9-10H,1,4-6H2,2-3H3
InChIKeyOVRLHKQZNLQWCG-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds1

About 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone

1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone (PubChem CID 176676947) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
PubChem CID176676947
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
SMILESC=C(C)C1CNCCN1C(C)=O
InChIInChI=1S/C9H16N2O/c1-7(2)9-6-10-4-5-11(9)8(3)12/h9-10H,1,4-6H2,2-3H3
InChIKeyOVRLHKQZNLQWCG-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone
CID 70297002
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 124958895
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
CID 95827585

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone (CID 176676947) is 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone is C=C(C)C1CNCCN1C(C)=O.
What is the InChIKey of 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OVRLHKQZNLQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)9-6-10-4-5-11(9)8(3)12/h9-10H,1,4-6H2,2-3H3.
What are the key properties of 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone?
1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 176676947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).