2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione

C13H14N4O3 — CID 63303544

IUPAC2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C(CN1C(=O)c2ccncc2C1=O)N1CCNCC1
InChIInChI=1S/C13H14N4O3/c18-11(16-5-3-14-4-6-16)8-17-12(19)9-1-2-15-7-10(9)13(17)20/h1-2,7,14H,3-6,8H2
InChIKeyMAOLNDOOXAKMTB-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.89
Rot. Bonds2

About 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 63303544) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID63303544
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C(CN1C(=O)c2ccncc2C1=O)N1CCNCC1
InChIInChI=1S/C13H14N4O3/c18-11(16-5-3-14-4-6-16)8-17-12(19)9-1-2-15-7-10(9)13(17)20/h1-2,7,14H,3-6,8H2
InChIKeyMAOLNDOOXAKMTB-UHFFFAOYSA-N
XLogP-0.89
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119416655
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119416654
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 95633290
2-(piperidin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303630
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251406
2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272829
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 115324338
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 71670235
5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119577661

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 63303544) is 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C(CN1C(=O)c2ccncc2C1=O)N1CCNCC1.
What is the InChIKey of 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is MAOLNDOOXAKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-11(16-5-3-14-4-6-16)8-17-12(19)9-1-2-15-7-10(9)13(17)20/h1-2,7,14H,3-6,8H2.
What are the key properties of 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 274.28 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 63303544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).