[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone

C20H24N2O2 — CID 113086764

IUPAC[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone
SMILESCn1cc(C2=CCN(C(=O)C3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O2/c1-21-14-18(17-4-2-3-5-19(17)21)15-6-10-22(11-7-15)20(23)16-8-12-24-13-9-16/h2-6,14,16H,7-13H2,1H3
InChIKeyJPCWPKGFGZRXAF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.22
Rot. Bonds2

About [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone

[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone (PubChem CID 113086764) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone
PubChem CID113086764
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone
SMILESCn1cc(C2=CCN(C(=O)C3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O2/c1-21-14-18(17-4-2-3-5-19(17)21)15-6-10-22(11-7-15)20(23)16-8-12-24-13-9-16/h2-6,14,16H,7-13H2,1H3
InChIKeyJPCWPKGFGZRXAF-UHFFFAOYSA-N
XLogP3.22
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone 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 [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone (CID 113086764) is [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone is Cn1cc(C2=CCN(C(=O)C3CCOCC3)CC2)c2ccccc21.
What is the InChIKey of [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is JPCWPKGFGZRXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21-14-18(17-4-2-3-5-19(17)21)15-6-10-22(11-7-15)20(23)16-8-12-24-13-9-16/h2-6,14,16H,7-13H2,1H3.
What are the key properties of [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone?
[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 113086764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).