4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide

C16H23N3O — CID 56792247

IUPAC4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide
SMILESCC(C)=CCN1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-13(2)7-8-18-9-11-19(12-10-18)15-5-3-14(4-6-15)16(17)20/h3-7H,8-12H2,1-2H3,(H2,17,20)
InChIKeyUAXPMKFFGMSFGV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds4

About 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide

4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide (PubChem CID 56792247) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide
PubChem CID56792247
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide
SMILESCC(C)=CCN1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-13(2)7-8-18-9-11-19(12-10-18)15-5-3-14(4-6-15)16(17)20/h3-7H,8-12H2,1-2H3,(H2,17,20)
InChIKeyUAXPMKFFGMSFGV-UHFFFAOYSA-N
XLogP1.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
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-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide
CID 75496968
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide
CID 84596127
2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde
CID 174679409
4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
CID 86969627
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
CID 18545464
4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969723

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide (CID 56792247) is 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide is CC(C)=CCN1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide?
The InChIKey is UAXPMKFFGMSFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)7-8-18-9-11-19(12-10-18)15-5-3-14(4-6-15)16(17)20/h3-7H,8-12H2,1-2H3,(H2,17,20).
What are the key properties of 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide?
4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide has a molecular weight of 273.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 56792247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).