[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate

C27H33N5O3 — CID 46862517

IUPAC[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate
SMILESO=C(COc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C27H33N5O3/c33-27(21-34-24-11-5-2-6-12-24)35-26-14-8-7-13-25(26)32-20-22(28-29-32)19-30-15-17-31(18-16-30)23-9-3-1-4-10-23/h1-6,9-12,20,25-26H,7-8,13-19,21H2/t25-,26-/m1/s1
InChIKeyCUGMHYURBUNEPZ-CLJLJLNGSA-N
MW475.59 g/mol
LogP3.71
Rot. Bonds8

About [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate

[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate (PubChem CID 46862517) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate
PubChem CID46862517
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate
SMILESO=C(COc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C27H33N5O3/c33-27(21-34-24-11-5-2-6-12-24)35-26-14-8-7-13-25(26)32-20-22(28-29-32)19-30-15-17-31(18-16-30)23-9-3-1-4-10-23/h1-6,9-12,20,25-26H,7-8,13-19,21H2/t25-,26-/m1/s1
InChIKeyCUGMHYURBUNEPZ-CLJLJLNGSA-N
XLogP3.71
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate
CID 46862299
N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide
CID 118166837
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
CID 3065722
N-[(3S,3aS,6R,6aR)-6-[4-(phenoxymethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclohexanecarboxamide
CID 163174212
5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one
CID 166350017
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113079057
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
N-[(3S,3aR,6S,6aR)-6-[4-(methoxymethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenoxyacetamide
CID 11886687
2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
CID 118738119

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate?
The IUPAC name of [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate (CID 46862517) is [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate.
What is the SMILES notation for [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate?
The canonical SMILES for [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate is O=C(COc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate?
The InChIKey is CUGMHYURBUNEPZ-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H33N5O3/c33-27(21-34-24-11-5-2-6-12-24)35-26-14-8-7-13-25(26)32-20-22(28-29-32)19-30-15-17-31(18-16-30)23-9-3-1-4-10-23/h1-6,9-12,20,25-26H,7-8,13-19,21H2/t25-,26-/m1/s1.
What are the key properties of [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate?
[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate has a molecular weight of 475.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate is sourced from PubChem (CID 46862517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).