1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one

C16H22N2O2S — CID 63902973

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CCSc2ccccc21
InChIInChI=1S/C16H22N2O2S/c19-16(7-11-20-13-5-8-17-9-6-13)18-10-12-21-15-4-2-1-3-14(15)18/h1-4,13,17H,5-12H2
InChIKeyLVKJJWWWLFOZAA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.28
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 63902973) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID63902973
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CCSc2ccccc21
InChIInChI=1S/C16H22N2O2S/c19-16(7-11-20-13-5-8-17-9-6-13)18-10-12-21-15-4-2-1-3-14(15)18/h1-4,13,17H,5-12H2
InChIKeyLVKJJWWWLFOZAA-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one (CID 63902973) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)N1CCSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is LVKJJWWWLFOZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-16(7-11-20-13-5-8-17-9-6-13)18-10-12-21-15-4-2-1-3-14(15)18/h1-4,13,17H,5-12H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 306.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 63902973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).