1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one

C12H18N2O — CID 123470145

IUPAC1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one
SMILESC=CC=C(C=C)C(C)N1CCNCC1=O
InChIInChI=1S/C12H18N2O/c1-4-6-11(5-2)10(3)14-8-7-13-9-12(14)15/h4-6,10,13H,1-2,7-9H2,3H3
InChIKeyXPANRQKBSSWKKZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.11
Rot. Bonds4

About 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one

1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one (PubChem CID 123470145) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one
PubChem CID123470145
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one
SMILESC=CC=C(C=C)C(C)N1CCNCC1=O
InChIInChI=1S/C12H18N2O/c1-4-6-11(5-2)10(3)14-8-7-13-9-12(14)15/h4-6,10,13H,1-2,7-9H2,3H3
InChIKeyXPANRQKBSSWKKZ-UHFFFAOYSA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-1-[4-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]piperazin-1-yl]ethanone
CID 59105286
2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 70812911
2-(Dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone
CID 72518151
2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 126732342
2-[[(4E,5Z,8Z,10E)-4-ethylidene-9,11-difluoro-8-methyldodeca-5,8,10-trien-3-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 135265860
(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide
CID 142156936
2-[cyclohepta-3,5-dien-1-yl(methyl)amino]-N-methylacetamide
CID 177930865
Methylenequinoxalin-2,3(1h,4h)-dione
CID 129864268
N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide
CID 135037979
2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide
CID 143566792
1-[(2E)-4-(trifluoromethyl)-2-[(E)-3,3,3-trifluoroprop-1-enyl]penta-2,4-dienyl]piperazin-2-one
CID 144692960
1-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}piperazine
CID 56872505

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one?
The IUPAC name of 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one (CID 123470145) is 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one.
What is the SMILES notation for 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one?
The canonical SMILES for 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one is C=CC=C(C=C)C(C)N1CCNCC1=O.
What is the InChIKey of 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one?
The InChIKey is XPANRQKBSSWKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-6-11(5-2)10(3)14-8-7-13-9-12(14)15/h4-6,10,13H,1-2,7-9H2,3H3.
What are the key properties of 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one?
1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylhexa-3,5-dien-2-yl)piperazin-2-one is sourced from PubChem (CID 123470145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).