1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone

C12H20N2O2 — CID 123409071

IUPAC1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone
SMILESC=C(C=C(C)N1CCN(C(C)=O)CC1)OC
InChIInChI=1S/C12H20N2O2/c1-10(9-11(2)16-4)13-5-7-14(8-6-13)12(3)15/h9H,2,5-8H2,1,3-4H3
InChIKeyFETXGZXKPSTSTJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone

1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone (PubChem CID 123409071) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone
PubChem CID123409071
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone
SMILESC=C(C=C(C)N1CCN(C(C)=O)CC1)OC
InChIInChI=1S/C12H20N2O2/c1-10(9-11(2)16-4)13-5-7-14(8-6-13)12(3)15/h9H,2,5-8H2,1,3-4H3
InChIKeyFETXGZXKPSTSTJ-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123284533
1-[4-(5-Ethoxyhexa-2,4-dien-3-yl)piperazin-1-yl]ethanone
CID 124004689
N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 142161971
ethane;1-[4-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanone
CID 142506753
1-[4-(5-Methoxycyclohepta-1,4,6-trien-1-yl)piperazin-1-yl]ethanone
CID 142928985
ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 143364801
1-[4-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanone
CID 142506754
N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 143364802
1-[4-[(3E,5E)-6-(dimethylamino)-5-methoxyhexa-3,5-dien-1-yn-3-yl]piperazin-1-yl]propan-1-one
CID 145612597

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone (CID 123409071) is 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone is C=C(C=C(C)N1CCN(C(C)=O)CC1)OC.
What is the InChIKey of 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone?
The InChIKey is FETXGZXKPSTSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(9-11(2)16-4)13-5-7-14(8-6-13)12(3)15/h9H,2,5-8H2,1,3-4H3.
What are the key properties of 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone has a molecular weight of 224.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123409071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).