3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C14H18FN3O2 — CID 43603186

IUPAC3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-17(10-13(19)18-7-5-16-6-8-18)14(20)11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyACPRQWKWXBFJBF-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.33
Rot. Bonds3

About 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 43603186) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID43603186
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-17(10-13(19)18-7-5-16-6-8-18)14(20)11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyACPRQWKWXBFJBF-UHFFFAOYSA-N
XLogP0.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 115736836
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
3-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058449
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
3-fluoro-N-methyl-5-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454706
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119454800
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 119454837
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 43603186) is 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CN(CC(=O)N1CCNCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is ACPRQWKWXBFJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-17(10-13(19)18-7-5-16-6-8-18)14(20)11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 279.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 43603186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).