2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone

C23H22FN3O3S — CID 133372608

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C23H22FN3O3S/c24-16-7-5-15(6-8-16)18-14-31-23(26-18)25-17-9-11-27(12-10-17)22(28)21-13-29-19-3-1-2-4-20(19)30-21/h1-8,14,17,21H,9-13H2,(H,25,26)
InChIKeyRAXCHJBGTAVTQW-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.19
Rot. Bonds4

About 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 133372608) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone
PubChem CID133372608
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C23H22FN3O3S/c24-16-7-5-15(6-8-16)18-14-31-23(26-18)25-17-9-11-27(12-10-17)22(28)21-13-29-19-3-1-2-4-20(19)30-21/h1-8,14,17,21H,9-13H2,(H,25,26)
InChIKeyRAXCHJBGTAVTQW-UHFFFAOYSA-N
XLogP4.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7136506
1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952272
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818054
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]acetamide
CID 71921232
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5056270
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3576515
[4-[(5-bromo-3-pyridinyl)amino]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 133321878
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3665007
(3S)-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1034143
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887498
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9368541
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone (CID 133372608) is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone is O=C(C1COc2ccccc2O1)N1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is RAXCHJBGTAVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c24-16-7-5-15(6-8-16)18-14-31-23(26-18)25-17-9-11-27(12-10-17)22(28)21-13-29-19-3-1-2-4-20(19)30-21/h1-8,14,17,21H,9-13H2,(H,25,26).
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 439.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 133372608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).