3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone

C15H21N3O3 — CID 142475902

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCOc3ccncc3C2)CCNCC1
InChIInChI=1S/C15H21N3O3/c1-20-15(3-6-16-7-4-15)14(19)18-8-9-21-13-2-5-17-10-12(13)11-18/h2,5,10,16H,3-4,6-9,11H2,1H3
InChIKeyJZUYNKZCHBHVTK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.57
Rot. Bonds2

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone (PubChem CID 142475902) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
PubChem CID142475902
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCOc3ccncc3C2)CCNCC1
InChIInChI=1S/C15H21N3O3/c1-20-15(3-6-16-7-4-15)14(19)18-8-9-21-13-2-5-17-10-12(13)11-18/h2,5,10,16H,3-4,6-9,11H2,1H3
InChIKeyJZUYNKZCHBHVTK-UHFFFAOYSA-N
XLogP0.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone (CID 142475902) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)N2CCOc3ccncc3C2)CCNCC1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is JZUYNKZCHBHVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-15(3-6-16-7-4-15)14(19)18-8-9-21-13-2-5-17-10-12(13)11-18/h2,5,10,16H,3-4,6-9,11H2,1H3.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 142475902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).