N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide

C13H16FN3O3 — CID 107434659

IUPACN-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H16FN3O3/c1-2-20-11-5-8(14)3-4-9(11)17-13(19)10-6-16-12(18)7-15-10/h3-5,10,15H,2,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyYKPHXGVFFITWRP-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.25
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide

N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434659) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434659
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H16FN3O3/c1-2-20-11-5-8(14)3-4-9(11)17-13(19)10-6-16-12(18)7-15-10/h3-5,10,15H,2,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyYKPHXGVFFITWRP-UHFFFAOYSA-N
XLogP0.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434865
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
(1S,6S)-6-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184974
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide (CID 107434659) is N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide is CCOc1cc(F)ccc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is YKPHXGVFFITWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-2-20-11-5-8(14)3-4-9(11)17-13(19)10-6-16-12(18)7-15-10/h3-5,10,15H,2,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).