1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C19H22FN3O2S — CID 24790836

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3O2S/c1-22(13-17-21-8-10-26-17)19(25)15-5-6-18(24)23(12-15)9-7-14-3-2-4-16(20)11-14/h2-4,8,10-11,15H,5-7,9,12-13H2,1H3
InChIKeyAAUBOJRIJCOYFX-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24790836) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24790836
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3O2S/c1-22(13-17-21-8-10-26-17)19(25)15-5-6-18(24)23(12-15)9-7-14-3-2-4-16(20)11-14/h2-4,8,10-11,15H,5-7,9,12-13H2,1H3
InChIKeyAAUBOJRIJCOYFX-UHFFFAOYSA-N
XLogP2.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 24790836) is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1nccs1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is AAUBOJRIJCOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-22(13-17-21-8-10-26-17)19(25)15-5-6-18(24)23(12-15)9-7-14-3-2-4-16(20)11-14/h2-4,8,10-11,15H,5-7,9,12-13H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).