N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide

C13H17N3O3 — CID 107433395

IUPACN-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H17N3O3/c1-2-19-11-6-4-3-5-9(11)16-13(18)10-7-15-12(17)8-14-10/h3-6,10,14H,2,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyIVXYUDUHJSJIFD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.11
Rot. Bonds4

About N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide

N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433395) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107433395
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H17N3O3/c1-2-19-11-6-4-3-5-9(11)16-13(18)10-7-15-12(17)8-14-10/h3-6,10,14H,2,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyIVXYUDUHJSJIFD-UHFFFAOYSA-N
XLogP0.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 107434659
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434865
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
CID 107434346
N-[2-(difluoromethylsulfanyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107433437
N-(2-ethoxyphenyl)-6-methylpiperidine-3-carboxamide
CID 24711526
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2-ethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24703621
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide (CID 107433395) is N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide is CCOc1ccccc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is IVXYUDUHJSJIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-11-6-4-3-5-9(11)16-13(18)10-7-15-12(17)8-14-10/h3-6,10,14H,2,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).