2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate

C21H25N3O3S — CID 22425

IUPAC2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
SMILESO=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc21
InChIInChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
InChIKeyDTVJXCOMJLLMAK-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.32
Rot. Bonds6

About 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate

2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate (PubChem CID 22425) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
PubChem CID22425
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
SMILESO=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc21
InChIInChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
InChIKeyDTVJXCOMJLLMAK-UHFFFAOYSA-N
XLogP4.32
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate with MolForge

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Related Compounds

Pipazethate Hydrochloride
CID 22424
Oxypendyl
CID 168893
10H-phenothiazin-10-yl[4-(pyridin-2-yl)piperazin-1-yl]methanone
CID 660379
Oxypendyl dihydrochloride
CID 9824662
10-(6-Piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine
CID 127027914
10-(6-Thiomorpholin-4-ylhexyl)pyrido[3,2-b][1,4]benzothiazine
CID 127027915
Ammonium, (3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, methyl sulfate
CID 48059
Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, ethyl sulfate
CID 48178
Sulfonium, dimethyl(2-((10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)carbonyloxy)ethyl)-, iodide
CID 116217
1-Piperazineethanol, 4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride
CID 209400
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(4-phenyl-1-piperazinyl)ethyl) ester
CID 215504
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carboxylic acid, 3-(diethylamino)propyl ester, hydrochloride
CID 3048118

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
The IUPAC name of 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate (CID 22425) is 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate.
What is the SMILES notation for 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
The canonical SMILES for 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate is O=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc21.
What is the InChIKey of 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
The InChIKey is DTVJXCOMJLLMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2.
What are the key properties of 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate has a molecular weight of 399.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate is sourced from PubChem (CID 22425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).