1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide

C15H17N3O3S — CID 4842542

IUPAC1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1
InChIInChI=1S/C15H17N3O3S/c16-14(20)10-2-1-5-18(7-10)15(21)9-3-4-12-11(6-9)17-13(19)8-22-12/h3-4,6,10H,1-2,5,7-8H2,(H2,16,20)(H,17,19)
InChIKeyJKVZPNPDUCWIKM-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.07
Rot. Bonds2

About 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide

1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide (PubChem CID 4842542) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
PubChem CID4842542
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1
InChIInChI=1S/C15H17N3O3S/c16-14(20)10-2-1-5-18(7-10)15(21)9-3-4-12-11(6-9)17-13(19)8-22-12/h3-4,6,10H,1-2,5,7-8H2,(H2,16,20)(H,17,19)
InChIKeyJKVZPNPDUCWIKM-UHFFFAOYSA-N
XLogP1.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-4-carboxamide
CID 110764904
N-(2-aminoethyl)-1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
CID 119479299
6-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 42408045
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-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 61411079
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 110805820
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22550008
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239139

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide (CID 4842542) is 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1.
What is the InChIKey of 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide?
The InChIKey is JKVZPNPDUCWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-14(20)10-2-1-5-18(7-10)15(21)9-3-4-12-11(6-9)17-13(19)8-22-12/h3-4,6,10H,1-2,5,7-8H2,(H2,16,20)(H,17,19).
What are the key properties of 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide?
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 4842542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).