1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone

C14H23N3O — CID 177213912

IUPAC1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone
SMILESC=C/C(C)=N/C=C(\CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H23N3O/c1-5-12(3)15-11-14(6-2)17-9-7-16(8-10-17)13(4)18/h5,11H,1,6-10H2,2-4H3/b14-11+,15-12+
InChIKeyXMOIKSKGGKMHRC-LCPPQYOVSA-N
MW249.36 g/mol
LogP2.05
Rot. Bonds4

About 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone

1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone (PubChem CID 177213912) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone
PubChem CID177213912
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone
SMILESC=C/C(C)=N/C=C(\CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H23N3O/c1-5-12(3)15-11-14(6-2)17-9-7-16(8-10-17)13(4)18/h5,11H,1,6-10H2,2-4H3/b14-11+,15-12+
InChIKeyXMOIKSKGGKMHRC-LCPPQYOVSA-N
XLogP2.05
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3,4-Dihydropyridin-3-yl)piperazin-1-yl]ethanone
CID 70289087
2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
CID 123143185
1-[4-[(E)-1-ethenyliminopent-2-en-2-yl]piperazin-1-yl]ethanone
CID 132040100
ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one
CID 142217273
1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]ethanone
CID 147242123
(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one
CID 142217274

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone (CID 177213912) is 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone is C=C/C(C)=N/C=C(\CC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone?
The InChIKey is XMOIKSKGGKMHRC-LCPPQYOVSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-12(3)15-11-14(6-2)17-9-7-16(8-10-17)13(4)18/h5,11H,1,6-10H2,2-4H3/b14-11+,15-12+.
What are the key properties of 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone?
1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone has a molecular weight of 249.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 177213912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).