2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C19H23FN2OS — CID 110313552

IUPAC2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)C(C(=O)N1CCC(c2nccs2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2OS/c1-13(2)17(14-3-5-16(20)6-4-14)19(23)22-10-7-15(8-11-22)18-21-9-12-24-18/h3-6,9,12-13,15,17H,7-8,10-11H2,1-2H3
InChIKeyDRCFQCWHMXTDIY-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 110313552) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID110313552
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)C(C(=O)N1CCC(c2nccs2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2OS/c1-13(2)17(14-3-5-16(20)6-4-14)19(23)22-10-7-15(8-11-22)18-21-9-12-24-18/h3-6,9,12-13,15,17H,7-8,10-11H2,1-2H3
InChIKeyDRCFQCWHMXTDIY-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313553
2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110308190
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 110313552) is 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is CC(C)C(C(=O)N1CCC(c2nccs2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is DRCFQCWHMXTDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-13(2)17(14-3-5-16(20)6-4-14)19(23)22-10-7-15(8-11-22)18-21-9-12-24-18/h3-6,9,12-13,15,17H,7-8,10-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 346.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110313552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).