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

C14H18FN3O2 — CID 63213553

IUPAC4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCC(=O)N2CCNCC2)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-10-8-11(2-3-12(10)15)14(20)17-9-13(19)18-6-4-16-5-7-18/h2-3,8,16H,4-7,9H2,1H3,(H,17,20)
InChIKeyIJFUMVWFGCFBBM-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.30
Rot. Bonds3

About 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 63213553) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID63213553
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCC(=O)N2CCNCC2)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-10-8-11(2-3-12(10)15)14(20)17-9-13(19)18-6-4-16-5-7-18/h2-3,8,16H,4-7,9H2,1H3,(H,17,20)
InChIKeyIJFUMVWFGCFBBM-UHFFFAOYSA-N
XLogP0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
1-(aziridin-1-yl)-4-(4-fluoro-3-methylphenyl)butane-1,4-dione
CID 82116552

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 63213553) is 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is Cc1cc(C(=O)NCC(=O)N2CCNCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is IJFUMVWFGCFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10-8-11(2-3-12(10)15)14(20)17-9-13(19)18-6-4-16-5-7-18/h2-3,8,16H,4-7,9H2,1H3,(H,17,20).
What are the key properties of 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 279.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 63213553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).