2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

C21H21FN2O2S — CID 51272537

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCSc3ccccc32)C1
InChIInChI=1S/C21H21FN2O2S/c22-17-9-7-15(8-10-17)20(25)23-11-3-4-16(14-23)21(26)24-12-13-27-19-6-2-1-5-18(19)24/h1-2,5-10,16H,3-4,11-14H2
InChIKeyNRZKVEJSCAMDQD-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.82
Rot. Bonds2

About 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (PubChem CID 51272537) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
PubChem CID51272537
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCSc3ccccc32)C1
InChIInChI=1S/C21H21FN2O2S/c22-17-9-7-15(8-10-17)20(25)23-11-3-4-16(14-23)21(26)24-12-13-27-19-6-2-1-5-18(19)24/h1-2,5-10,16H,3-4,11-14H2
InChIKeyNRZKVEJSCAMDQD-UHFFFAOYSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorobenzoyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541572
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 30788085
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 30788083
[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 24535217
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (CID 51272537) is 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCSc3ccccc32)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is NRZKVEJSCAMDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c22-17-9-7-15(8-10-17)20(25)23-11-3-4-16(14-23)21(26)24-12-13-27-19-6-2-1-5-18(19)24/h1-2,5-10,16H,3-4,11-14H2.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 51272537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).