3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide

C16H21N3O2S — CID 119554967

IUPAC3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCCC3CCCNC3)cc2N1
InChIInChI=1S/C16H21N3O2S/c20-15-10-22-14-4-3-12(8-13(14)19-15)16(21)18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2,(H,18,21)(H,19,20)
InChIKeyVXNMMLDORUJOET-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.85
Rot. Bonds4

About 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 119554967) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID119554967
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCCC3CCCNC3)cc2N1
InChIInChI=1S/C16H21N3O2S/c20-15-10-22-14-4-3-12(8-13(14)19-15)16(21)18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2,(H,18,21)(H,19,20)
InChIKeyVXNMMLDORUJOET-UHFFFAOYSA-N
XLogP1.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119533362
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
2-oxo-N-(2-pyrrolidin-3-ylethyl)-1,3-dihydroindole-5-carboxamide
CID 102711522

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide (CID 119554967) is 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NCCC3CCCNC3)cc2N1.
What is the InChIKey of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is VXNMMLDORUJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-15-10-22-14-4-3-12(8-13(14)19-15)16(21)18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 119554967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).