2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide

C13H21N3O — CID 123371564

IUPAC2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide
SMILESC=CC=CC(=C)CN1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H21N3O/c1-3-4-5-12(2)10-15-6-8-16(9-7-15)11-13(14)17/h3-5H,1-2,6-11H2,(H2,14,17)
InChIKeyXCGHRFTYSLDELL-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.39
Rot. Bonds6

About 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide

2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide (PubChem CID 123371564) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide
PubChem CID123371564
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide
SMILESC=CC=CC(=C)CN1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H21N3O/c1-3-4-5-12(2)10-15-6-8-16(9-7-15)11-13(14)17/h3-5H,1-2,6-11H2,(H2,14,17)
InChIKeyXCGHRFTYSLDELL-UHFFFAOYSA-N
XLogP0.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperazin-2-one
CID 144473805
2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide
CID 143566792
2-(3,6-Dihydropyridin-1(2h)-yl)acetamide
CID 14536651
2-(Phenylmethylamino)acetamide;yttrium
CID 58782657
N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70289722
2-(4-Cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide
CID 122678224
5-(4,4-Dimethylpiperazin-4-ium-1-yl)-4-methyl-2-methylidenepent-3-enamide
CID 123404649
2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
CID 123468915
1-(3-Ethenylhexa-3,5-dien-2-yl)piperazin-2-one
CID 123470145
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
CID 123491190
2-[4-(1,2-Dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 126711003
2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide
CID 129055322

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide (CID 123371564) is 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide is C=CC=CC(=C)CN1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide?
The InChIKey is XCGHRFTYSLDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-5-12(2)10-15-6-8-16(9-7-15)11-13(14)17/h3-5H,1-2,6-11H2,(H2,14,17).
What are the key properties of 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide?
2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 123371564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).