2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one

C16H21N5O3 — CID 167241836

IUPAC2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1CCC(N2Cc3cc(N4CCNCC4)ncc3C2=O)C(O)N1
InChIInChI=1S/C16H21N5O3/c22-14-2-1-12(15(23)19-14)21-9-10-7-13(18-8-11(10)16(21)24)20-5-3-17-4-6-20/h7-8,12,15,17,23H,1-6,9H2,(H,19,22)
InChIKeyUBKQFPXWXLQKEA-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.96
Rot. Bonds2

About 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one

2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 167241836) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID167241836
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1CCC(N2Cc3cc(N4CCNCC4)ncc3C2=O)C(O)N1
InChIInChI=1S/C16H21N5O3/c22-14-2-1-12(15(23)19-14)21-9-10-7-13(18-8-11(10)16(21)24)20-5-3-17-4-6-20/h7-8,12,15,17,23H,1-6,9H2,(H,19,22)
InChIKeyUBKQFPXWXLQKEA-UHFFFAOYSA-N
XLogP-0.96
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 146547624
5-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 174283336
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(1-methyl-5-quinoxalin-6-ylpyrazol-4-yl)-3H-isoindol-1-one
CID 171075744
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(methylsulfanylmethyl)-3H-isoindol-1-one
CID 166845794
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
CID 146518003
4-bromo-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 134359464
N-[2-(2-hydroxy-6-oxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]carbamoyl iodide
CID 156528084
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one
CID 170102306
N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 176971917
4-[4-[[1-[6-fluoro-2-(2-hydroxy-6-oxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoic acid
CID 134441254
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
6-piperazin-1-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 112710471

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 167241836) is 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one is O=C1CCC(N2Cc3cc(N4CCNCC4)ncc3C2=O)C(O)N1.
What is the InChIKey of 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is UBKQFPXWXLQKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14-2-1-12(15(23)19-14)21-9-10-7-13(18-8-11(10)16(21)24)20-5-3-17-4-6-20/h7-8,12,15,17,23H,1-6,9H2,(H,19,22).
What are the key properties of 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 331.38 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 167241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).