N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide

C15H18BrN3O3 — CID 51161836

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H18BrN3O3/c1-11(20)18-5-7-19(8-6-18)14(21)10-17-15(22)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,17,22)
InChIKeyJVRSOIAEEIANEC-UHFFFAOYSA-N
MW368.23 g/mol
LogP0.87
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide (PubChem CID 51161836) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
PubChem CID51161836
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H18BrN3O3/c1-11(20)18-5-7-19(8-6-18)14(21)10-17-15(22)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,17,22)
InChIKeyJVRSOIAEEIANEC-UHFFFAOYSA-N
XLogP0.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188
1-[2-[(3-bromobenzoyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529242
3-bromo-N-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 87042205
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
CID 55860378
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81198209
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide (CID 51161836) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide is CC(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide?
The InChIKey is JVRSOIAEEIANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-11(20)18-5-7-19(8-6-18)14(21)10-17-15(22)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,17,22).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide has a molecular weight of 368.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide is sourced from PubChem (CID 51161836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).