1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one

C21H26N4O — CID 71522485

IUPAC1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1ncccc1CCN1CCC(c2ccccn2)C1
InChIInChI=1S/C21H26N4O/c26-20-8-2-4-13-25(20)21-17(6-5-12-23-21)9-14-24-15-10-18(16-24)19-7-1-3-11-22-19/h1,3,5-7,11-12,18H,2,4,8-10,13-16H2
InChIKeyGJPYZMZTRSROER-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.03
Rot. Bonds5

About 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one

1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one (PubChem CID 71522485) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one
PubChem CID71522485
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1ncccc1CCN1CCC(c2ccccn2)C1
InChIInChI=1S/C21H26N4O/c26-20-8-2-4-13-25(20)21-17(6-5-12-23-21)9-14-24-15-10-18(16-24)19-7-1-3-11-22-19/h1,3,5-7,11-12,18H,2,4,8-10,13-16H2
InChIKeyGJPYZMZTRSROER-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one?
The IUPAC name of 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one (CID 71522485) is 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one?
The canonical SMILES for 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one is O=C1CCCCN1c1ncccc1CCN1CCC(c2ccccn2)C1.
What is the InChIKey of 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one?
The InChIKey is GJPYZMZTRSROER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20-8-2-4-13-25(20)21-17(6-5-12-23-21)9-14-24-15-10-18(16-24)19-7-1-3-11-22-19/h1,3,5-7,11-12,18H,2,4,8-10,13-16H2.
What are the key properties of 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one?
1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 71522485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).