N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide

C18H25N3O2S — CID 4565576

IUPACN-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C18H25N3O2S/c1-2-3-9-19-16(22)13-7-8-15-14(12-13)20-17(23)18(24-15)21-10-5-4-6-11-21/h7-8,12,18H,2-6,9-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyWZNNCBSWLDVYCS-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.07
Rot. Bonds5

About N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide

N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4565576) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4565576
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C18H25N3O2S/c1-2-3-9-19-16(22)13-7-8-15-14(12-13)20-17(23)18(24-15)21-10-5-4-6-11-21/h7-8,12,18H,2-6,9-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyWZNNCBSWLDVYCS-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 3239345
N-(3-ethoxypropyl)-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4303287
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148216
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 99736744
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-butan-2-yl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 5072193
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696395
N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148214
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175
(2R)-N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696398
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (CID 4565576) is N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is CCCCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2.
What is the InChIKey of N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is WZNNCBSWLDVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-2-3-9-19-16(22)13-7-8-15-14(12-13)20-17(23)18(24-15)21-10-5-4-6-11-21/h7-8,12,18H,2-6,9-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4565576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).