(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one

C10H18N2O — CID 130331535

IUPAC(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one
SMILESC/C=C\C(C)C(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O/c1-3-4-9(2)10(13)12-7-5-11-6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3-
InChIKeyZSEVAFDNZHJHOR-ARJAWSKDSA-N
MW182.27 g/mol
LogP0.63
Rot. Bonds2

About (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one

(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one (PubChem CID 130331535) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one.

Molecular Properties

Compound Name(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one
PubChem CID130331535
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one
SMILESC/C=C\C(C)C(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O/c1-3-4-9(2)10(13)12-7-5-11-6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3-
InChIKeyZSEVAFDNZHJHOR-ARJAWSKDSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.63
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

N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
(2S)-N-(2-fluoroethyl)-2-methyl-N-[(E)-3-piperazin-1-ylprop-1-enyl]but-3-enamide
CID 174095988
1-ethyl-4-[(3E)-hex-3-enoyl]-2,2-dimethylpiperazine
CID 56865813
(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one
CID 13306521
(4E,7E,10E,13E,16E,19E)-1-piperazin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 18980247
(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one
CID 20596587
1-(Cyclopent-3-ene-1-carbonyl)piperazine
CID 21184018
(9Z)-1,2,3,4,7,8,11,11a-octahydropyrazino[1,2-a]azocin-6-one
CID 21882401
5,9,13,17-Tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one
CID 53765153
1-(Piperazin-1-yl)docosa-4,7,10,13,16,19-hexaen-1-one
CID 54312597
2-methyl-N-[(E)-4-methylpent-2-enyl]propanamide
CID 57973272

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one?
The IUPAC name of (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one (CID 130331535) is (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one.
What is the SMILES notation for (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one?
The canonical SMILES for (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one is C/C=C\C(C)C(=O)N1CCNCC1.
What is the InChIKey of (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one?
The InChIKey is ZSEVAFDNZHJHOR-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-9(2)10(13)12-7-5-11-6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3-.
What are the key properties of (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one?
(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one is sourced from PubChem (CID 130331535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).