N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide

C22H20FN3O2S — CID 45179979

IUPACN-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)c2cncs2)C1
InChIInChI=1S/C22H20FN3O2S/c23-18-8-6-15(7-9-18)16-3-1-5-19(11-16)25-21(27)17-4-2-10-26(13-17)22(28)20-12-24-14-29-20/h1,3,5-9,11-12,14,17H,2,4,10,13H2,(H,25,27)
InChIKeyXBPGWDYUCGLWLF-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.44
Rot. Bonds4

About N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide

N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 45179979) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID45179979
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)c2cncs2)C1
InChIInChI=1S/C22H20FN3O2S/c23-18-8-6-15(7-9-18)16-3-1-5-19(11-16)25-21(27)17-4-2-10-26(13-17)22(28)20-12-24-14-29-20/h1,3,5-9,11-12,14,17H,2,4,10,13H2,(H,25,27)
InChIKeyXBPGWDYUCGLWLF-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide (CID 45179979) is N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)c2cncs2)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is XBPGWDYUCGLWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-18-8-6-15(7-9-18)16-3-1-5-19(11-16)25-21(27)17-4-2-10-26(13-17)22(28)20-12-24-14-29-20/h1,3,5-9,11-12,14,17H,2,4,10,13H2,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45179979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).