N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide

C15H20FN3O2 — CID 112991677

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
SMILESCCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-2-18-7-9-19(10-8-18)14(20)11-17-15(21)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,21)
InChIKeyLUNILCOQAKOQDV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.72
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 112991677) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
PubChem CID112991677
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
SMILESCCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-2-18-7-9-19(10-8-18)14(20)11-17-15(21)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,21)
InChIKeyLUNILCOQAKOQDV-UHFFFAOYSA-N
XLogP0.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide
CID 126829414
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 38471623
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide (CID 112991677) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide is CCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is LUNILCOQAKOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-18-7-9-19(10-8-18)14(20)11-17-15(21)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 293.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 112991677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).