6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione

C21H23N3O2 — CID 10450489

IUPAC6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20-18-7-4-11-22-19(18)21(26)24(20)14-10-16-8-12-23(13-9-16)15-17-5-2-1-3-6-17/h1-7,11,16H,8-10,12-15H2
InChIKeyLORWXMAHQNWARL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.98
Rot. Bonds5

About 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 10450489) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID10450489
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20-18-7-4-11-22-19(18)21(26)24(20)14-10-16-8-12-23(13-9-16)15-17-5-2-1-3-6-17/h1-7,11,16H,8-10,12-15H2
InChIKeyLORWXMAHQNWARL-UHFFFAOYSA-N
XLogP2.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Piberaline
CID 65975
Pyrrolopyridine, 9
CID 16719862
Pkn1/2-IN-1
CID 23585102
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
7-phenyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190891
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 10450489) is 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LORWXMAHQNWARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-18-7-4-11-22-19(18)21(26)24(20)14-10-16-8-12-23(13-9-16)15-17-5-2-1-3-6-17/h1-7,11,16H,8-10,12-15H2.
What are the key properties of 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 349.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzylpiperidin-4-yl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 10450489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).