(2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone

C21H28N4O2 — CID 121305920

IUPAC(2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](n2ncc(C(C)(C)O)n2)CN1C(=O)c1ccccc1C1CC1
InChIInChI=1S/C21H28N4O2/c1-14-8-11-16(25-22-12-19(23-25)21(2,3)27)13-24(14)20(26)18-7-5-4-6-17(18)15-9-10-15/h4-7,12,14-16,27H,8-11,13H2,1-3H3/t14-,16-/m1/s1
InChIKeyVZHGGQUMSCZJLJ-GDBMZVCRSA-N
MW368.48 g/mol
LogP3.25
Rot. Bonds4

About (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone

(2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 121305920) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID121305920
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](n2ncc(C(C)(C)O)n2)CN1C(=O)c1ccccc1C1CC1
InChIInChI=1S/C21H28N4O2/c1-14-8-11-16(25-22-12-19(23-25)21(2,3)27)13-24(14)20(26)18-7-5-4-6-17(18)15-9-10-15/h4-7,12,14-16,27H,8-11,13H2,1-3H3/t14-,16-/m1/s1
InChIKeyVZHGGQUMSCZJLJ-GDBMZVCRSA-N
XLogP3.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone 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 (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone (CID 121305920) is (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone is C[C@@H]1CC[C@@H](n2ncc(C(C)(C)O)n2)CN1C(=O)c1ccccc1C1CC1.
What is the InChIKey of (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is VZHGGQUMSCZJLJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-8-11-16(25-22-12-19(23-25)21(2,3)27)13-24(14)20(26)18-7-5-4-6-17(18)15-9-10-15/h4-7,12,14-16,27H,8-11,13H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
(2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 121305920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).