1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide

C21H21N3O3S — CID 92883443

IUPAC1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C21H21N3O3S/c25-19(22-15-6-2-1-3-7-15)14-10-12-24(13-11-14)21(27)18-20(26)23-16-8-4-5-9-17(16)28-18/h1-9,14,18H,10-13H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyQCGCKYOPXPYWGJ-GOSISDBHSA-N
MW395.48 g/mol
LogP2.98
Rot. Bonds3

About 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 92883443) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID92883443
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C21H21N3O3S/c25-19(22-15-6-2-1-3-7-15)14-10-12-24(13-11-14)21(27)18-20(26)23-16-8-4-5-9-17(16)28-18/h1-9,14,18H,10-13H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyQCGCKYOPXPYWGJ-GOSISDBHSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Metopimazine
CID 26388
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
4-Amino-1-(10H-phenothiazin-10-yl)butan-1-one hydrochloride
CID 6603292
2-(4-Cyclopropylmethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-N-hydroxy-acetamide
CID 11208580
N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
CID 11301293
N-{1-[3-(3-Oxo-2,3-dihydro-benzo[1,4]thiazin-4-yl)-propyl]-piperidin-4-yl}-2-phenyl-acetamide
CID 44207208
2-[4-(2-Cyclohexyl-ethyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl]-N-hydroxy-acetamide
CID 44283282
2-(4-Cyclohexylmethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-N-hydroxy-acetamide
CID 44283284
2-(4-Cyclobutylmethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-N-hydroxy-acetamide
CID 44283334
2-(4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-N-hydroxy-acetamide
CID 44283367

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 92883443) is 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2Sc3ccccc3NC2=O)CC1.
What is the InChIKey of 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is QCGCKYOPXPYWGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-19(22-15-6-2-1-3-7-15)14-10-12-24(13-11-14)21(27)18-20(26)23-16-8-4-5-9-17(16)28-18/h1-9,14,18H,10-13H2,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 92883443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).