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

C22H22ClN3OS — CID 30936715

IUPACN-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C22H22ClN3OS/c23-19-5-1-3-17(13-19)18-4-2-6-20(14-18)25-22(27)16-7-10-26(11-8-16)15-21-24-9-12-28-21/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,25,27)
InChIKeyVJSWESADYYTAFO-UHFFFAOYSA-N
MW411.96 g/mol
LogP5.31
Rot. Bonds5

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

N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 30936715) has the molecular formula C22H22ClN3OS and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID30936715
Molecular FormulaC22H22ClN3OS
Molecular Weight411.96 g/mol
Exact Mass411.12
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C22H22ClN3OS/c23-19-5-1-3-17(13-19)18-4-2-6-20(14-18)25-22(27)16-7-10-26(11-8-16)15-21-24-9-12-28-21/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,25,27)
InChIKeyVJSWESADYYTAFO-UHFFFAOYSA-N
XLogP5.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.96
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 30936715) is N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2nccs2)CC1.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VJSWESADYYTAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3OS/c23-19-5-1-3-17(13-19)18-4-2-6-20(14-18)25-22(27)16-7-10-26(11-8-16)15-21-24-9-12-28-21/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,25,27).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 411.96 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 30936715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).