N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide

C12H15N3O4 — CID 107434576

IUPACN-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1O
InChIInChI=1S/C12H15N3O4/c1-19-10-3-2-7(4-9(10)16)15-12(18)8-5-14-11(17)6-13-8/h2-4,8,13,16H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyFHHJRAMZEIFEQA-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.57
Rot. Bonds3

About N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide

N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434576) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434576
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1O
InChIInChI=1S/C12H15N3O4/c1-19-10-3-2-7(4-9(10)16)15-12(18)8-5-14-11(17)6-13-8/h2-4,8,13,16H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyFHHJRAMZEIFEQA-UHFFFAOYSA-N
XLogP-0.57
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351989
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
CID 107437353
N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435712

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide (CID 107434576) is N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide is COc1ccc(NC(=O)C2CNC(=O)CN2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is FHHJRAMZEIFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-10-3-2-7(4-9(10)16)15-12(18)8-5-14-11(17)6-13-8/h2-4,8,13,16H,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).