1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one

C10H16N2O2 — CID 143677940

IUPAC1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one
SMILESC=C(O/C=C\C)C(=O)N1CCNCC1
InChIInChI=1S/C10H16N2O2/c1-3-8-14-9(2)10(13)12-6-4-11-5-7-12/h3,8,11H,2,4-7H2,1H3/b8-3-
InChIKeyOATNQHABJMSLMY-BAQGIRSFSA-N
MW196.25 g/mol
LogP0.48
Rot. Bonds3

About 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one

1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one (PubChem CID 143677940) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one
PubChem CID143677940
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one
SMILESC=C(O/C=C\C)C(=O)N1CCNCC1
InChIInChI=1S/C10H16N2O2/c1-3-8-14-9(2)10(13)12-6-4-11-5-7-12/h3,8,11H,2,4-7H2,1H3/b8-3-
InChIKeyOATNQHABJMSLMY-BAQGIRSFSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, N-[2-(4-morpholinyl)ethyl]-
CID 10241489
piperazin-1-yl(4H-pyran-2-yl)methanone
CID 70333816
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
CID 118034007
(E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide
CID 118400724
2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-1-piperazin-1-ylethanone
CID 122521310
(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide
CID 129266169
(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide
CID 129299266
(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]but-2-enamide
CID 132042714
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145699
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145700
2-Ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432566
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432940

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one?
The IUPAC name of 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one (CID 143677940) is 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one is C=C(O/C=C\C)C(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one?
The InChIKey is OATNQHABJMSLMY-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8-14-9(2)10(13)12-6-4-11-5-7-12/h3,8,11H,2,4-7H2,1H3/b8-3-.
What are the key properties of 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one?
1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one is sourced from PubChem (CID 143677940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).