(2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone

C28H28N4O2 — CID 53364459

IUPAC(2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone
SMILESO=C(N1CCCCC1Cc1ccccc1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C28H28N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-21-26(29-30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,34H,10-11,18-20H2
InChIKeyJFLLZUXHBCFMPX-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.63
Rot. Bonds5

About (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone

(2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone (PubChem CID 53364459) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone.

Molecular Properties

Compound Name(2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone
PubChem CID53364459
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name(2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone
SMILESO=C(N1CCCCC1Cc1ccccc1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C28H28N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-21-26(29-30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,34H,10-11,18-20H2
InChIKeyJFLLZUXHBCFMPX-UHFFFAOYSA-N
XLogP4.63
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone?
The IUPAC name of (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone (CID 53364459) is (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone.
What is the SMILES notation for (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone?
The canonical SMILES for (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone is O=C(N1CCCCC1Cc1ccccc1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone?
The InChIKey is JFLLZUXHBCFMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-21-26(29-30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,34H,10-11,18-20H2.
What are the key properties of (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone?
(2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone has a molecular weight of 452.56 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]methanone is sourced from PubChem (CID 53364459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).