1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one

C15H19N3O2S — CID 53148527

IUPAC1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESCN1C(=O)C(CC(=O)N2CCCCC2)Sc2ncccc21
InChIInChI=1S/C15H19N3O2S/c1-17-11-6-5-7-16-14(11)21-12(15(17)20)10-13(19)18-8-3-2-4-9-18/h5-7,12H,2-4,8-10H2,1H3
InChIKeyBCJKAUJVRKXEGK-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.92
Rot. Bonds2

About 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one

1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 53148527) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID53148527
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESCN1C(=O)C(CC(=O)N2CCCCC2)Sc2ncccc21
InChIInChI=1S/C15H19N3O2S/c1-17-11-6-5-7-16-14(11)21-12(15(17)20)10-13(19)18-8-3-2-4-9-18/h5-7,12H,2-4,8-10H2,1H3
InChIKeyBCJKAUJVRKXEGK-UHFFFAOYSA-N
XLogP1.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one (CID 53148527) is 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one is CN1C(=O)C(CC(=O)N2CCCCC2)Sc2ncccc21.
What is the InChIKey of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is BCJKAUJVRKXEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-17-11-6-5-7-16-14(11)21-12(15(17)20)10-13(19)18-8-3-2-4-9-18/h5-7,12H,2-4,8-10H2,1H3.
What are the key properties of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 305.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 53148527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).