3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride

C15H21BrClN3O2 — CID 120572721

IUPAC3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride
SMILESCC1NCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1C.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-10-11(2)19(7-6-17-10)14(20)9-18-15(21)12-4-3-5-13(16)8-12;/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,18,21);1H
InChIKeyKICYKPOPEVEASO-UHFFFAOYSA-N
MW390.71 g/mol
LogP1.81
Rot. Bonds3

About 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride

3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120572721) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride
PubChem CID120572721
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC Name3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride
SMILESCC1NCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1C.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-10-11(2)19(7-6-17-10)14(20)9-18-15(21)12-4-3-5-13(16)8-12;/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,18,21);1H
InChIKeyKICYKPOPEVEASO-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120573186
2-(3-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120569813
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
2-[(3-bromophenyl)methylsulfonyl]-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572042
1-[2-[(3-bromobenzoyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083898
3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-bromobenzamide
CID 119631869
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120572220
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride (CID 120572721) is 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride is CC1NCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1C.Cl.
What is the InChIKey of 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is KICYKPOPEVEASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c1-10-11(2)19(7-6-17-10)14(20)9-18-15(21)12-4-3-5-13(16)8-12;/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,18,21);1H.
What are the key properties of 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120572721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).