(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol

C22H26N4O2S — CID 46902727

IUPAC(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol
SMILESCOc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1
InChIInChI=1S/C22H26N4O2S/c1-28-17-8-6-16(7-9-17)20-11-22(27)21(14-25(20)12-18-3-2-10-29-18)26-13-19(23-24-26)15-4-5-15/h2-3,6-10,13,15,20-22,27H,4-5,11-12,14H2,1H3/t20-,21+,22+/m1/s1
InChIKeyAFXKNDHWOJNFSQ-FSSWDIPSSA-N
MW410.54 g/mol
LogP3.77
Rot. Bonds6

About (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol

(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol (PubChem CID 46902727) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol
PubChem CID46902727
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol
SMILESCOc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1
InChIInChI=1S/C22H26N4O2S/c1-28-17-8-6-16(7-9-17)20-11-22(27)21(14-25(20)12-18-3-2-10-29-18)26-13-19(23-24-26)15-4-5-15/h2-3,6-10,13,15,20-22,27H,4-5,11-12,14H2,1H3/t20-,21+,22+/m1/s1
InChIKeyAFXKNDHWOJNFSQ-FSSWDIPSSA-N
XLogP3.77
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol 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,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The IUPAC name of (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol (CID 46902727) is (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol is COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1.
What is the InChIKey of (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The InChIKey is AFXKNDHWOJNFSQ-FSSWDIPSSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-28-17-8-6-16(7-9-17)20-11-22(27)21(14-25(20)12-18-3-2-10-29-18)26-13-19(23-24-26)15-4-5-15/h2-3,6-10,13,15,20-22,27H,4-5,11-12,14H2,1H3/t20-,21+,22+/m1/s1.
What are the key properties of (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol?
(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol has a molecular weight of 410.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 46902727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).