1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one

C17H25N3OS — CID 119919695

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(C)C(=O)N2CCSc3ccccc32)C1
InChIInChI=1S/C17H25N3OS/c1-13(19-9-5-6-14(12-19)18-2)17(21)20-10-11-22-16-8-4-3-7-15(16)20/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyVKRUTNJAKHCSEK-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.20
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119919695) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119919695
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(C)C(=O)N2CCSc3ccccc32)C1
InChIInChI=1S/C17H25N3OS/c1-13(19-9-5-6-14(12-19)18-2)17(21)20-10-11-22-16-8-4-3-7-15(16)20/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyVKRUTNJAKHCSEK-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(4-cyclohexyloxypiperidin-1-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 86873895
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202862
(2R)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 95349308
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 86928371
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 119919695) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(C)C(=O)N2CCSc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is VKRUTNJAKHCSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-13(19-9-5-6-14(12-19)18-2)17(21)20-10-11-22-16-8-4-3-7-15(16)20/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 319.47 g/mol, XLogP of 2.20, 3 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)-2-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119919695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).