[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C17H19FN2OS — CID 45212177

IUPAC[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C17H19FN2OS/c18-15-5-1-3-13(9-15)6-7-14-4-2-8-20(10-14)17(21)16-11-22-12-19-16/h1,3,5,9,11-12,14H,2,4,6-8,10H2
InChIKeyZRBJERIUXVWTMX-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.77
Rot. Bonds4

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

[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 45212177) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID45212177
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C17H19FN2OS/c18-15-5-1-3-13(9-15)6-7-14-4-2-8-20(10-14)17(21)16-11-22-12-19-16/h1,3,5,9,11-12,14H,2,4,6-8,10H2
InChIKeyZRBJERIUXVWTMX-UHFFFAOYSA-N
XLogP3.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 45212177) is [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC(CCc2cccc(F)c2)C1.
What is the InChIKey of [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ZRBJERIUXVWTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-15-5-1-3-13(9-15)6-7-14-4-2-8-20(10-14)17(21)16-11-22-12-19-16/h1,3,5,9,11-12,14H,2,4,6-8,10H2.
What are the key properties of [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 45212177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).