ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one

C12H24N2O2 — CID 142145699

IUPACethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
SMILESCC.CC/C=C(\OC)C(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O2.C2H6/c1-3-4-9(14-2)10(13)12-7-5-11-6-8-12;1-2/h4,11H,3,5-8H2,1-2H3;1-2H3/b9-4-;
InChIKeyBDIFJGRCPTVSGG-WONROIIJSA-N
MW228.34 g/mol
LogP1.38
Rot. Bonds3

About ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one

ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one (PubChem CID 142145699) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
PubChem CID142145699
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
SMILESCC.CC/C=C(\OC)C(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O2.C2H6/c1-3-4-9(14-2)10(13)12-7-5-11-6-8-12;1-2/h4,11H,3,5-8H2,1-2H3;1-2H3/b9-4-;
InChIKeyBDIFJGRCPTVSGG-WONROIIJSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.38
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

N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 97090915
N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 96568861
[2-[(2-Methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 70332282
piperazin-1-yl(4H-pyran-2-yl)methanone
CID 70333816
2,3-Dihydrofuran-5-yl(piperazin-1-yl)methanone
CID 70343538
(Z)-2-hydroxy-4-(methylamino)-1-[3-(methylaminomethyl)morpholin-4-yl]pent-2-en-1-one
CID 130180527
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145700
(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 142266447
(4-methylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 143290782
2,3-Dihydrofuran-5-yl-(4-methylpiperazin-1-yl)methanone
CID 143306085
1-piperazin-1-yl-2-[(Z)-prop-1-enoxy]prop-2-en-1-one
CID 143677940

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one?
The IUPAC name of ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one (CID 142145699) is ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one.
What is the SMILES notation for ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one?
The canonical SMILES for ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one is CC.CC/C=C(\OC)C(=O)N1CCNCC1.
What is the InChIKey of ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one?
The InChIKey is BDIFJGRCPTVSGG-WONROIIJSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-3-4-9(14-2)10(13)12-7-5-11-6-8-12;1-2/h4,11H,3,5-8H2,1-2H3;1-2H3/b9-4-;.
What are the key properties of ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one?
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one is sourced from PubChem (CID 142145699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).