3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide

C22H32N4O2S — CID 3239345

IUPAC3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C22H32N4O2S/c27-20(23-10-7-13-25-11-3-1-4-12-25)17-8-9-19-18(16-17)24-21(28)22(29-19)26-14-5-2-6-15-26/h8-9,16,22H,1-7,10-15H2,(H,23,27)(H,24,28)
InChIKeyCCYUYNFVZAAEDA-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.15
Rot. Bonds6

About 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide

3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 3239345) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID3239345
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C22H32N4O2S/c27-20(23-10-7-13-25-11-3-1-4-12-25)17-8-9-19-18(16-17)24-21(28)22(29-19)26-14-5-2-6-15-26/h8-9,16,22H,1-7,10-15H2,(H,23,27)(H,24,28)
InChIKeyCCYUYNFVZAAEDA-UHFFFAOYSA-N
XLogP3.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 99736744
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148216
N-(3-ethoxypropyl)-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4303287
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039
N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148214
N-butan-2-yl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 5072193
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696395
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
(2R)-N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696398
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide (CID 3239345) is 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2.
What is the InChIKey of 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is CCYUYNFVZAAEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c27-20(23-10-7-13-25-11-3-1-4-12-25)17-8-9-19-18(16-17)24-21(28)22(29-19)26-14-5-2-6-15-26/h8-9,16,22H,1-7,10-15H2,(H,23,27)(H,24,28).
What are the key properties of 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 3239345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).