N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C21H26FN3O2S — CID 24817622

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C
InChIInChI=1S/C21H26FN3O2S/c1-14-15(2)28-19(24-14)8-10-23-21(27)17-6-7-20(26)25(13-17)11-9-16-4-3-5-18(22)12-16/h3-5,12,17H,6-11,13H2,1-2H3,(H,23,27)
InChIKeyIYNYRNROMGIHAT-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817622) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817622
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C
InChIInChI=1S/C21H26FN3O2S/c1-14-15(2)28-19(24-14)8-10-23-21(27)17-6-7-20(26)25(13-17)11-9-16-4-3-5-18(22)12-16/h3-5,12,17H,6-11,13H2,1-2H3,(H,23,27)
InChIKeyIYNYRNROMGIHAT-UHFFFAOYSA-N
XLogP3.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817622) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1nc(CCNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is IYNYRNROMGIHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-14-15(2)28-19(24-14)8-10-23-21(27)17-6-7-20(26)25(13-17)11-9-16-4-3-5-18(22)12-16/h3-5,12,17H,6-11,13H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).