N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C22H22FN3OS — CID 133370734

IUPACN-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H22FN3OS/c23-19-8-6-17(7-9-19)20-15-28-22(25-20)26-12-10-18(11-13-26)21(27)24-14-16-4-2-1-3-5-16/h1-9,15,18H,10-14H2,(H,24,27)
InChIKeyILKRNCVEUKDJLX-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.48
Rot. Bonds5

About N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 133370734) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID133370734
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC NameN-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H22FN3OS/c23-19-8-6-17(7-9-19)20-15-28-22(25-20)26-12-10-18(11-13-26)21(27)24-14-16-4-2-1-3-5-16/h1-9,15,18H,10-14H2,(H,24,27)
InChIKeyILKRNCVEUKDJLX-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-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

N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
N-benzyl-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447246
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 55663679
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 133371229
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952038
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 133370734) is N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ILKRNCVEUKDJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-19-8-6-17(7-9-19)20-15-28-22(25-20)26-12-10-18(11-13-26)21(27)24-14-16-4-2-1-3-5-16/h1-9,15,18H,10-14H2,(H,24,27).
What are the key properties of N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133370734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).