N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C22H22FN3OS — CID 45242821

IUPACN-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN(Cc2nccs2)C1
InChIInChI=1S/C22H22FN3OS/c23-19-5-1-3-17(13-19)16-6-8-20(9-7-16)25-22(27)18-4-2-11-26(14-18)15-21-24-10-12-28-21/h1,3,5-10,12-13,18H,2,4,11,14-15H2,(H,25,27)
InChIKeyBWLZUMSCBIXZQL-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.80
Rot. Bonds5

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

N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45242821) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45242821
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN(Cc2nccs2)C1
InChIInChI=1S/C22H22FN3OS/c23-19-5-1-3-17(13-19)16-6-8-20(9-7-16)25-22(27)18-4-2-11-26(14-18)15-21-24-10-12-28-21/h1,3,5-10,12-13,18H,2,4,11,14-15H2,(H,25,27)
InChIKeyBWLZUMSCBIXZQL-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 45242821) is N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN(Cc2nccs2)C1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is BWLZUMSCBIXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-19-5-1-3-17(13-19)16-6-8-20(9-7-16)25-22(27)18-4-2-11-26(14-18)15-21-24-10-12-28-21/h1,3,5-10,12-13,18H,2,4,11,14-15H2,(H,25,27).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45242821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).