N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide

C21H23N3O3S — CID 11200344

IUPACN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(CO)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H23N3O3S/c25-14-20(26)22-16-9-11-24(12-10-16)13-15-5-7-17(8-6-15)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,16,25H,9-14H2,(H,22,26)
InChIKeyIJHSPFFWIXGDBB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.16
Rot. Bonds6

About N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide

N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 11200344) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide
PubChem CID11200344
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(CO)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H23N3O3S/c25-14-20(26)22-16-9-11-24(12-10-16)13-15-5-7-17(8-6-15)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,16,25H,9-14H2,(H,22,26)
InChIKeyIJHSPFFWIXGDBB-UHFFFAOYSA-N
XLogP3.16
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide 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-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide (CID 11200344) is N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide is O=C(CO)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is IJHSPFFWIXGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-14-20(26)22-16-9-11-24(12-10-16)13-15-5-7-17(8-6-15)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,16,25H,9-14H2,(H,22,26).
What are the key properties of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?
N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 397.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 11200344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).