3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C14H18FN3O2 — CID 115736842

IUPAC3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(F)cc(C(=O)NCC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H18FN3O2/c1-10-6-11(8-12(15)7-10)14(20)17-9-13(19)18-4-2-16-3-5-18/h6-8,16H,2-5,9H2,1H3,(H,17,20)
InChIKeyCMYUCRYWPDYELB-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.30
Rot. Bonds3

About 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 115736842) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID115736842
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(F)cc(C(=O)NCC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H18FN3O2/c1-10-6-11(8-12(15)7-10)14(20)17-9-13(19)18-4-2-16-3-5-18/h6-8,16H,2-5,9H2,1H3,(H,17,20)
InChIKeyCMYUCRYWPDYELB-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-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99824173
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 43002406
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
3,5-dimethyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 120824090

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 115736842) is 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is Cc1cc(F)cc(C(=O)NCC(=O)N2CCNCC2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is CMYUCRYWPDYELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10-6-11(8-12(15)7-10)14(20)17-9-13(19)18-4-2-16-3-5-18/h6-8,16H,2-5,9H2,1H3,(H,17,20).
What are the key properties of 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3-fluoro-5-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 3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 115736842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).