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

C16H21N3O2S — CID 6625395

IUPAC1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C(CCCN1C(=O)CSc2ncccc21)N1CCCCC1
InChIInChI=1S/C16H21N3O2S/c20-14(18-9-2-1-3-10-18)7-5-11-19-13-6-4-8-17-16(13)22-12-15(19)21/h4,6,8H,1-3,5,7,9-12H2
InChIKeyMRRBOORNPFUTHG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.31
Rot. Bonds4

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

1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 6625395) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID6625395
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C(CCCN1C(=O)CSc2ncccc21)N1CCCCC1
InChIInChI=1S/C16H21N3O2S/c20-14(18-9-2-1-3-10-18)7-5-11-19-13-6-4-8-17-16(13)22-12-15(19)21/h4,6,8H,1-3,5,7,9-12H2
InChIKeyMRRBOORNPFUTHG-UHFFFAOYSA-N
XLogP2.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one (CID 6625395) is 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one is O=C(CCCN1C(=O)CSc2ncccc21)N1CCCCC1.
What is the InChIKey of 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is MRRBOORNPFUTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-14(18-9-2-1-3-10-18)7-5-11-19-13-6-4-8-17-16(13)22-12-15(19)21/h4,6,8H,1-3,5,7,9-12H2.
What are the key properties of 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one?
1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 319.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 6625395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).