(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate

C19H21N3O2S — CID 3048139

IUPAC(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
SMILESCCN1CCC(OC(=O)N2c3ccccc3Sc3cccnc32)CC1
InChIInChI=1S/C19H21N3O2S/c1-2-21-12-9-14(10-13-21)24-19(23)22-15-6-3-4-7-16(15)25-17-8-5-11-20-18(17)22/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKeyPRVVFMYOSHBUNY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.31
Rot. Bonds2

About (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate

(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate (PubChem CID 3048139) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
PubChem CID3048139
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
SMILESCCN1CCC(OC(=O)N2c3ccccc3Sc3cccnc32)CC1
InChIInChI=1S/C19H21N3O2S/c1-2-21-12-9-14(10-13-21)24-19(23)22-15-6-3-4-7-16(15)25-17-8-5-11-20-18(17)22/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKeyPRVVFMYOSHBUNY-UHFFFAOYSA-N
XLogP4.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylbut-2-en-1-one
CID 110179797
S-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate;dihydrochloride
CID 21119797
3-piperidin-1-ium-1-ylpropyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate chloride
CID 110173971
2-(2-pyrrolidin-1-ium-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate chloride
CID 110174347
10-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)hexyl]pyrido[3,2-b][1,4]benzothiazine
CID 127029435
1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone;2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
CID 69399566
benzoic acid;N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
CID 175196790
(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 134866440
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide
CID 1441405
(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
CID 7368449
[1-[2-[4-(2-aminoethyl)phenyl]ethyl]piperidin-4-yl] 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate
CID 68559145
[1-(3-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487945

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
The IUPAC name of (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate (CID 3048139) is (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
The canonical SMILES for (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate is CCN1CCC(OC(=O)N2c3ccccc3Sc3cccnc32)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
The InChIKey is PRVVFMYOSHBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-21-12-9-14(10-13-21)24-19(23)22-15-6-3-4-7-16(15)25-17-8-5-11-20-18(17)22/h3-8,11,14H,2,9-10,12-13H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate?
(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate is sourced from PubChem (CID 3048139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).