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

C18H25Cl2N3O2S — CID 119823531

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCNCC1.Cl
InChIInChI=1S/C18H24ClN3O2S.ClH/c1-2-9-22(13-5-7-20-8-6-13)17(23)11-16-18(24)21-14-10-12(19)3-4-15(14)25-16;/h3-4,10,13,16,20H,2,5-9,11H2,1H3,(H,21,24);1H
InChIKeyFSCVJVSYFJWINF-UHFFFAOYSA-N
MW418.39 g/mol
LogP3.56
Rot. Bonds5

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

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119823531) has the molecular formula C18H25Cl2N3O2S and a molecular weight of 418.39 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119823531
Molecular FormulaC18H25Cl2N3O2S
Molecular Weight418.39 g/mol
Exact Mass417.10
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCNCC1.Cl
InChIInChI=1S/C18H24ClN3O2S.ClH/c1-2-9-22(13-5-7-20-8-6-13)17(23)11-16-18(24)21-14-10-12(19)3-4-15(14)25-16;/h3-4,10,13,16,20H,2,5-9,11H2,1H3,(H,21,24);1H
InChIKeyFSCVJVSYFJWINF-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530301
2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119530696
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 26646962
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide
CID 71936741
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 42943286
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 55957891
N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 46087527
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119823531) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCNCC1.Cl.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is FSCVJVSYFJWINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S.ClH/c1-2-9-22(13-5-7-20-8-6-13)17(23)11-16-18(24)21-14-10-12(19)3-4-15(14)25-16;/h3-4,10,13,16,20H,2,5-9,11H2,1H3,(H,21,24);1H.
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 418.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 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-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119823531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).