4-(2-piperazin-1-ylethyl)benzamide

C13H19N3O — CID 84696960

IUPAC4-(2-piperazin-1-ylethyl)benzamide
SMILESNC(=O)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c14-13(17)12-3-1-11(2-4-12)5-8-16-9-6-15-7-10-16/h1-4,15H,5-10H2,(H2,14,17)
InChIKeyFYFMHVXFLJHKTB-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.23
Rot. Bonds4

About 4-(2-piperazin-1-ylethyl)benzamide

4-(2-piperazin-1-ylethyl)benzamide (PubChem CID 84696960) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-piperazin-1-ylethyl)benzamide
PubChem CID84696960
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-piperazin-1-ylethyl)benzamide
SMILESNC(=O)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c14-13(17)12-3-1-11(2-4-12)5-8-16-9-6-15-7-10-16/h1-4,15H,5-10H2,(H2,14,17)
InChIKeyFYFMHVXFLJHKTB-UHFFFAOYSA-N
XLogP0.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
2-[4-[2-(4-aminophenyl)ethyl]-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 89349171
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
CID 22362372
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
CID 84701965
1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
CID 175700216

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-(2-piperazin-1-ylethyl)benzamide (CID 84696960) is 4-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-(2-piperazin-1-ylethyl)benzamide is NC(=O)c1ccc(CCN2CCNCC2)cc1.
What is the InChIKey of 4-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is FYFMHVXFLJHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(17)12-3-1-11(2-4-12)5-8-16-9-6-15-7-10-16/h1-4,15H,5-10H2,(H2,14,17).
What are the key properties of 4-(2-piperazin-1-ylethyl)benzamide?
4-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 84696960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).