[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone

C21H21ClN4O2S — CID 46903195

IUPAC[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2S/c22-15-7-5-14(6-8-15)17-10-19(27)18(26-11-16(23-24-26)13-3-4-13)12-25(17)21(28)20-2-1-9-29-20/h1-2,5-9,11,13,17-19,27H,3-4,10,12H2/t17-,18-,19-/m1/s1
InChIKeyXLYIKTKCRAYHBJ-GUDVDZBRSA-N
MW428.95 g/mol
LogP4.06
Rot. Bonds4

About [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone

[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46903195) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46903195
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC Name[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2S/c22-15-7-5-14(6-8-15)17-10-19(27)18(26-11-16(23-24-26)13-3-4-13)12-25(17)21(28)20-2-1-9-29-20/h1-2,5-9,11,13,17-19,27H,3-4,10,12H2/t17-,18-,19-/m1/s1
InChIKeyXLYIKTKCRAYHBJ-GUDVDZBRSA-N
XLogP4.06
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone 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 [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone (CID 46903195) is [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is XLYIKTKCRAYHBJ-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c22-15-7-5-14(6-8-15)17-10-19(27)18(26-11-16(23-24-26)13-3-4-13)12-25(17)21(28)20-2-1-9-29-20/h1-2,5-9,11,13,17-19,27H,3-4,10,12H2/t17-,18-,19-/m1/s1.
What are the key properties of [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 428.95 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46903195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).