2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C17H23Cl2N3O2S — CID 119555663

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1Sc2ccc(Cl)cc2NC1=O)NCCC1CCCNC1
InChIInChI=1S/C17H22ClN3O2S.ClH/c18-12-3-4-14-13(8-12)21-17(23)15(24-14)9-16(22)20-7-5-11-2-1-6-19-10-11;/h3-4,8,11,15,19H,1-2,5-7,9-10H2,(H,20,22)(H,21,23);1H
InChIKeyMZLJUUWHJOQJKZ-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.07
Rot. Bonds5

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119555663) has the molecular formula C17H23Cl2N3O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119555663
Molecular FormulaC17H23Cl2N3O2S
Molecular Weight404.36 g/mol
Exact Mass403.09
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1Sc2ccc(Cl)cc2NC1=O)NCCC1CCCNC1
InChIInChI=1S/C17H22ClN3O2S.ClH/c18-12-3-4-14-13(8-12)21-17(23)15(24-14)9-16(22)20-7-5-11-2-1-6-19-10-11;/h3-4,8,11,15,19H,1-2,5-7,9-10H2,(H,20,22)(H,21,23);1H
InChIKeyMZLJUUWHJOQJKZ-UHFFFAOYSA-N
XLogP3.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460553
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(cyclobutylmethyl)acetamide
CID 51078953
2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide
CID 33380084
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenoxypropyl)acetamide
CID 51286535
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
N-[1-(aminomethyl)cyclopentyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide;hydrochloride
CID 119565386
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55960303
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119554967

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119555663) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(CC1Sc2ccc(Cl)cc2NC1=O)NCCC1CCCNC1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is MZLJUUWHJOQJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S.ClH/c18-12-3-4-14-13(8-12)21-17(23)15(24-14)9-16(22)20-7-5-11-2-1-6-19-10-11;/h3-4,8,11,15,19H,1-2,5-7,9-10H2,(H,20,22)(H,21,23);1H.
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 404.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119555663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).