3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione

C26H30N4O4 — CID 177018041

IUPAC3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
SMILESCC1(C)CN(Cc2ccccc2)CC[C@]1(O)c1ccc2c(n1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H30N4O4/c1-25(2)16-29(14-17-6-4-3-5-7-17)13-12-26(25,34)21-10-8-18-19(27-21)15-30(24(18)33)20-9-11-22(31)28-23(20)32/h3-8,10,20,34H,9,11-16H2,1-2H3,(H,28,31,32)/t20?,26-/m0/s1
InChIKeyNMLSNSKNIGXLTC-GHZUAHJPSA-N
MW462.55 g/mol
LogP1.96
Rot. Bonds4

About 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione

3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione (PubChem CID 177018041) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
PubChem CID177018041
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
SMILESCC1(C)CN(Cc2ccccc2)CC[C@]1(O)c1ccc2c(n1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H30N4O4/c1-25(2)16-29(14-17-6-4-3-5-7-17)13-12-26(25,34)21-10-8-18-19(27-21)15-30(24(18)33)20-9-11-22(31)28-23(20)32/h3-8,10,20,34H,9,11-16H2,1-2H3,(H,28,31,32)/t20?,26-/m0/s1
InChIKeyNMLSNSKNIGXLTC-GHZUAHJPSA-N
XLogP1.96
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[2-[(4R)-4-hydroxy-3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177018242
3-[2-[4-hydroxy-3,3-dimethyl-1-[[3-methyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177017715
3-[2-[1-[(4-anilinophenyl)methyl]-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175164
3-[2-[4-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175125
3-[2-[1-[(4-ethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175020
4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide
CID 177175099
3-[2-[4-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177174992
3-[2-[4-hydroxy-1-(quinolin-3-ylmethyl)piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175077
3-[2-[1-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175008
3-[2-[1-(1,3-benzothiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175163
3-[2-[4-hydroxy-1-[[(3R)-1-phenylpiperidin-3-yl]methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175093
3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175048

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione (CID 177018041) is 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione is CC1(C)CN(Cc2ccccc2)CC[C@]1(O)c1ccc2c(n1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?
The InChIKey is NMLSNSKNIGXLTC-GHZUAHJPSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-25(2)16-29(14-17-6-4-3-5-7-17)13-12-26(25,34)21-10-8-18-19(27-21)15-30(24(18)33)20-9-11-22(31)28-23(20)32/h3-8,10,20,34H,9,11-16H2,1-2H3,(H,28,31,32)/t20?,26-/m0/s1.
What are the key properties of 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?
3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione has a molecular weight of 462.55 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 177018041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).