3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone

C13H17N3O2 — CID 139351307

IUPAC3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)OCCN2)N1CCCCC1
InChIInChI=1S/C13H17N3O2/c17-13(16-5-2-1-3-6-16)10-8-11-12(15-9-10)14-4-7-18-11/h8-9H,1-7H2,(H,14,15)
InChIKeyRAISAYGHFVWGRR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.51
Rot. Bonds1

About 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone

3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone (PubChem CID 139351307) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
PubChem CID139351307
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)OCCN2)N1CCCCC1
InChIInChI=1S/C13H17N3O2/c17-13(16-5-2-1-3-6-16)10-8-11-12(15-9-10)14-4-7-18-11/h8-9H,1-7H2,(H,14,15)
InChIKeyRAISAYGHFVWGRR-UHFFFAOYSA-N
XLogP1.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone (CID 139351307) is 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone is O=C(c1cnc2c(c1)OCCN2)N1CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone?
The InChIKey is RAISAYGHFVWGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(16-5-2-1-3-6-16)10-8-11-12(15-9-10)14-4-7-18-11/h8-9H,1-7H2,(H,14,15).
What are the key properties of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone?
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 139351307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).