N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide

C13H12N4O4 — CID 107433664

IUPACN-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CN1
InChIInChI=1S/C13H12N4O4/c18-10-5-14-9(4-15-10)13(21)16-6-1-2-7-8(3-6)12(20)17-11(7)19/h1-3,9,14H,4-5H2,(H,15,18)(H,16,21)(H,17,19,20)
InChIKeyDSQYWBJSXBMQEX-UHFFFAOYSA-N
MW288.26 g/mol
LogP-1.40
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide

N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433664) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107433664
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CN1
InChIInChI=1S/C13H12N4O4/c18-10-5-14-9(4-15-10)13(21)16-6-1-2-7-8(3-6)12(20)17-11(7)19/h1-3,9,14H,4-5H2,(H,15,18)(H,16,21)(H,17,19,20)
InChIKeyDSQYWBJSXBMQEX-UHFFFAOYSA-N
XLogP-1.40
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
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-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
CID 107437353
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435712
1-[(1,3-dioxoisoindol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096392

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide (CID 107433664) is N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CN1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is DSQYWBJSXBMQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-10-5-14-9(4-15-10)13(21)16-6-1-2-7-8(3-6)12(20)17-11(7)19/h1-3,9,14H,4-5H2,(H,15,18)(H,16,21)(H,17,19,20).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 288.26 g/mol, XLogP of -1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).