6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

C19H21N3O — CID 50952033

IUPAC6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c23-19-17-7-4-10-20-18(17)14-22(19)16-8-11-21(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2
InChIKeyYTWAZRBUNGQJEW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.70
Rot. Bonds3

About 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50952033) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50952033
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c23-19-17-7-4-10-20-18(17)14-22(19)16-8-11-21(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2
InChIKeyYTWAZRBUNGQJEW-UHFFFAOYSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50952033) is 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YTWAZRBUNGQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19-17-7-4-10-20-18(17)14-22(19)16-8-11-21(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2.
What are the key properties of 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 307.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50952033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).