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

C22H20FN3O2S — CID 24794234

IUPACN-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)c2cscn2)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(12-17)22(28)20-13-29-14-24-20/h1,3,5-9,11,13-14,17H,2,4,10,12H2,(H,25,27)
InChIKeyLPWSEXBUBAWART-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.44
Rot. Bonds4

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

N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 24794234) 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-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID24794234
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)c2cscn2)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(12-17)22(28)20-13-29-14-24-20/h1,3,5-9,11,13-14,17H,2,4,10,12H2,(H,25,27)
InChIKeyLPWSEXBUBAWART-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (CID 24794234) is N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is LPWSEXBUBAWART-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(12-17)22(28)20-13-29-14-24-20/h1,3,5-9,11,13-14,17H,2,4,10,12H2,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-(1,3-thiazole-4-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-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 24794234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).