N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide

C24H25N3O3S — CID 67356960

IUPACN-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(C3CCCCN3C(=O)COc3ccccc3)cs2)cc1
InChIInChI=1S/C24H25N3O3S/c1-17(28)25-19-12-10-18(11-13-19)24-26-21(16-31-24)22-9-5-6-14-27(22)23(29)15-30-20-7-3-2-4-8-20/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H,25,28)
InChIKeyJYLJLCYOMKXDOT-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.90
Rot. Bonds6

About N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide

N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide (PubChem CID 67356960) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide
PubChem CID67356960
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(C3CCCCN3C(=O)COc3ccccc3)cs2)cc1
InChIInChI=1S/C24H25N3O3S/c1-17(28)25-19-12-10-18(11-13-19)24-26-21(16-31-24)22-9-5-6-14-27(22)23(29)15-30-20-7-3-2-4-8-20/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H,25,28)
InChIKeyJYLJLCYOMKXDOT-UHFFFAOYSA-N
XLogP4.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide (CID 67356960) is N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(C3CCCCN3C(=O)COc3ccccc3)cs2)cc1.
What is the InChIKey of N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
The InChIKey is JYLJLCYOMKXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17(28)25-19-12-10-18(11-13-19)24-26-21(16-31-24)22-9-5-6-14-27(22)23(29)15-30-20-7-3-2-4-8-20/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H,25,28).
What are the key properties of N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 67356960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).