2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

C15H21ClFN3O2 — CID 119454843

IUPAC2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-11-3-4-12(13(16)9-11)15(21)18(2)10-14(20)19-7-5-17-6-8-19;/h3-4,9,17H,5-8,10H2,1-2H3;1H
InChIKeyGJCUDBNBOWXOSQ-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.06
Rot. Bonds3

About 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119454843) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119454843
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-11-3-4-12(13(16)9-11)15(21)18(2)10-14(20)19-7-5-17-6-8-19;/h3-4,9,17H,5-8,10H2,1-2H3;1H
InChIKeyGJCUDBNBOWXOSQ-UHFFFAOYSA-N
XLogP1.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119454843) is 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is Cc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)c(F)c1.Cl.
What is the InChIKey of 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is GJCUDBNBOWXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-11-3-4-12(13(16)9-11)15(21)18(2)10-14(20)19-7-5-17-6-8-19;/h3-4,9,17H,5-8,10H2,1-2H3;1H.
What are the key properties of 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119454843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).