1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone

C17H24N2O — CID 783727

IUPAC1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
SMILESC/C=C(/C)CN1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H24N2O/c1-4-14(2)13-18-9-11-19(12-10-18)17-7-5-16(6-8-17)15(3)20/h4-8H,9-13H2,1-3H3/b14-4-
InChIKeySBANNMOEYYSRDA-CPSFFCFKSA-N
MW272.39 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 783727) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
PubChem CID783727
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
SMILESC/C=C(/C)CN1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H24N2O/c1-4-14(2)13-18-9-11-19(12-10-18)17-7-5-16(6-8-17)15(3)20/h4-8H,9-13H2,1-3H3/b14-4-
InChIKeySBANNMOEYYSRDA-CPSFFCFKSA-N
XLogP2.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
CID 782041
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
3-[4-(4-acetylphenyl)piperazin-1-yl]-1-iodoiodanuidylpropan-1-one
CID 163901609
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9347790
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone (CID 783727) is 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone is C/C=C(/C)CN1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is SBANNMOEYYSRDA-CPSFFCFKSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-14(2)13-18-9-11-19(12-10-18)17-7-5-16(6-8-17)15(3)20/h4-8H,9-13H2,1-3H3/b14-4-.
What are the key properties of 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 783727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).