ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate

C19H26N4O4S — CID 3245176

IUPACethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3ncccc32)CC1
InChIInChI=1S/C19H26N4O4S/c1-2-27-19(26)22-11-7-14(8-12-22)21-16(24)6-4-10-23-15-5-3-9-20-18(15)28-13-17(23)25/h3,5,9,14H,2,4,6-8,10-13H2,1H3,(H,21,24)
InChIKeyRJFOILJANKXWDJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.04
Rot. Bonds6

About ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate (PubChem CID 3245176) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
PubChem CID3245176
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Nameethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3ncccc32)CC1
InChIInChI=1S/C19H26N4O4S/c1-2-27-19(26)22-11-7-14(8-12-22)21-16(24)6-4-10-23-15-5-3-9-20-18(15)28-13-17(23)25/h3,5,9,14H,2,4,6-8,10-13H2,1H3,(H,21,24)
InChIKeyRJFOILJANKXWDJ-UHFFFAOYSA-N
XLogP2.04
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 42786222
ethyl 4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 46532388
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
prop-2-enyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 108562084
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 31843835
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 98466113
ethyl 4-[[2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 27929428
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate (CID 3245176) is ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3ncccc32)CC1.
What is the InChIKey of ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate?
The InChIKey is RJFOILJANKXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-2-27-19(26)22-11-7-14(8-12-22)21-16(24)6-4-10-23-15-5-3-9-20-18(15)28-13-17(23)25/h3,5,9,14H,2,4,6-8,10-13H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate has a molecular weight of 406.51 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3245176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).