1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

C21H26FN3O2S — CID 24793234

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cs1
InChIInChI=1S/C21H26FN3O2S/c1-14(2)21-24-18(13-28-21)11-23-20(27)16-6-7-19(26)25(12-16)9-8-15-4-3-5-17(22)10-15/h3-5,10,13-14,16H,6-9,11-12H2,1-2H3,(H,23,27)
InChIKeyYSVJEBKDVPGPKT-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24793234) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24793234
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cs1
InChIInChI=1S/C21H26FN3O2S/c1-14(2)21-24-18(13-28-21)11-23-20(27)16-6-7-19(26)25(12-16)9-8-15-4-3-5-17(22)10-15/h3-5,10,13-14,16H,6-9,11-12H2,1-2H3,(H,23,27)
InChIKeyYSVJEBKDVPGPKT-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-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

Related Compounds

(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 44456352
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-methyl-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645938
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625
1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 21926665
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(2-methyl-thiazol-4-yl)-1H-pyrimidine-2,4-dione
CID 44394723
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524281
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 24793234) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is CC(C)c1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cs1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YSVJEBKDVPGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-14(2)21-24-18(13-28-21)11-23-20(27)16-6-7-19(26)25(12-16)9-8-15-4-3-5-17(22)10-15/h3-5,10,13-14,16H,6-9,11-12H2,1-2H3,(H,23,27).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).