3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide

C19H27N3O2S — CID 9293082

IUPAC3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)CCN2C(=O)CSc3ccccc32)CC1
InChIInChI=1S/C19H27N3O2S/c1-2-10-21-11-7-15(8-12-21)20-18(23)9-13-22-16-5-3-4-6-17(16)25-14-19(22)24/h3-6,15H,2,7-14H2,1H3,(H,20,23)
InChIKeyZGOZBNNFJRFCLB-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.51
Rot. Bonds6

About 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide

3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 9293082) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID9293082
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)CCN2C(=O)CSc3ccccc32)CC1
InChIInChI=1S/C19H27N3O2S/c1-2-10-21-11-7-15(8-12-21)20-18(23)9-13-22-16-5-3-4-6-17(16)25-14-19(22)24/h3-6,15H,2,7-14H2,1H3,(H,20,23)
InChIKeyZGOZBNNFJRFCLB-UHFFFAOYSA-N
XLogP2.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 42786222
N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 7268644
N-[(1S,2S)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9273025
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
(2S)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-N-propylpropanamide
CID 9227813
4-tert-butyl-N'-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]benzohydrazide
CID 9327474
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922394
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,4-benzothiazin-3-one
CID 42786230
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922309
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 95632580
4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one;hydrochloride
CID 119489469

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide (CID 9293082) is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)CCN2C(=O)CSc3ccccc32)CC1.
What is the InChIKey of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is ZGOZBNNFJRFCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-2-10-21-11-7-15(8-12-21)20-18(23)9-13-22-16-5-3-4-6-17(16)25-14-19(22)24/h3-6,15H,2,7-14H2,1H3,(H,20,23).
What are the key properties of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide?
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 361.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 9293082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).