N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide

C13H17N3O3 — CID 107433377

IUPACN-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C13H17N3O3/c1-2-19-10-5-3-9(4-6-10)16-13(18)11-7-15-12(17)8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySJVCMKUREIMAAX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.11
Rot. Bonds4

About N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide

N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433377) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107433377
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C13H17N3O3/c1-2-19-10-5-3-9(4-6-10)16-13(18)11-7-15-12(17)8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySJVCMKUREIMAAX-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-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435712
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 107434659
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434312

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide (CID 107433377) is N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide is CCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is SJVCMKUREIMAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-10-5-3-9(4-6-10)16-13(18)11-7-15-12(17)8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
N-(4-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-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).