(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone

C18H19FN4O3S — CID 119103166

IUPAC(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
SMILESCN1c2ccccc2N(C2CCN(C(=O)c3ccncc3F)CC2)S1(=O)=O
InChIInChI=1S/C18H19FN4O3S/c1-21-16-4-2-3-5-17(16)23(27(21,25)26)13-7-10-22(11-8-13)18(24)14-6-9-20-12-15(14)19/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyOYSCCBUNYRNZHY-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.03
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119103166) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID119103166
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
SMILESCN1c2ccccc2N(C2CCN(C(=O)c3ccncc3F)CC2)S1(=O)=O
InChIInChI=1S/C18H19FN4O3S/c1-21-16-4-2-3-5-17(16)23(27(21,25)26)13-7-10-22(11-8-13)18(24)14-6-9-20-12-15(14)19/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyOYSCCBUNYRNZHY-UHFFFAOYSA-N
XLogP2.03
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 119103125
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(5-chlorothiophen-2-yl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 121020371
ethyl 4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxylate
CID 119103137
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121021492
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 129357319
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone (CID 119103166) is (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone is CN1c2ccccc2N(C2CCN(C(=O)c3ccncc3F)CC2)S1(=O)=O.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is OYSCCBUNYRNZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-21-16-4-2-3-5-17(16)23(27(21,25)26)13-7-10-22(11-8-13)18(24)14-6-9-20-12-15(14)19/h2-6,9,12-13H,7-8,10-11H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119103166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).