N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide

C17H21N3O3S — CID 48734831

IUPACN-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C17H21N3O3S/c1-11(21)19(2)13-5-7-20(8-6-13)17(23)12-3-4-15-14(9-12)18-16(22)10-24-15/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyIMALLFBMXYJCKR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.81
Rot. Bonds2

About N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide

N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide (PubChem CID 48734831) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide
PubChem CID48734831
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C17H21N3O3S/c1-11(21)19(2)13-5-7-20(8-6-13)17(23)12-3-4-15-14(9-12)18-16(22)10-24-15/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyIMALLFBMXYJCKR-UHFFFAOYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 42408045
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-4-carboxamide
CID 110764904
6-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 38390238
6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 167804187
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 110805820
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
CID 4842542
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 61411079
6-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 27782413
7-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrochloride
CID 120816929
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
7-[4-(ethylaminomethyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 119646360
6-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 17424020

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide (CID 48734831) is N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide is CC(=O)N(C)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is IMALLFBMXYJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11(21)19(2)13-5-7-20(8-6-13)17(23)12-3-4-15-14(9-12)18-16(22)10-24-15/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide?
N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 48734831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).