1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one

C18H25N3O2S — CID 20890056

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC1CC(C)CN(C(=O)CCCN2C(=O)CSc3ncccc32)C1
InChIInChI=1S/C18H25N3O2S/c1-13-9-14(2)11-20(10-13)16(22)6-4-8-21-15-5-3-7-19-18(15)24-12-17(21)23/h3,5,7,13-14H,4,6,8-12H2,1-2H3
InChIKeyTZIBGPMRUIUOIG-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.81
Rot. Bonds4

About 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one

1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 20890056) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID20890056
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC1CC(C)CN(C(=O)CCCN2C(=O)CSc3ncccc32)C1
InChIInChI=1S/C18H25N3O2S/c1-13-9-14(2)11-20(10-13)16(22)6-4-8-21-15-5-3-7-19-18(15)24-12-17(21)23/h3,5,7,13-14H,4,6,8-12H2,1-2H3
InChIKeyTZIBGPMRUIUOIG-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one with MolForge

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Related Compounds

4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoic acid
CID 53212616
ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
CID 3245176
N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 6625425
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 46261547
N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 20890074
4-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one
CID 20887570
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,4-benzothiazin-3-one
CID 42786230
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 98466113
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1,4-benzothiazin-3-one
CID 4224691
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one
CID 46952617
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 20890056) is 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one is CC1CC(C)CN(C(=O)CCCN2C(=O)CSc3ncccc32)C1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is TZIBGPMRUIUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-9-14(2)11-20(10-13)16(22)6-4-8-21-15-5-3-7-19-18(15)24-12-17(21)23/h3,5,7,13-14H,4,6,8-12H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one?
1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 347.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 20890056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).