(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

C22H30N4O2 — CID 42346388

IUPAC(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1CCc1ccc(O)cc1
InChIInChI=1S/C22H30N4O2/c27-20-13-10-17(11-14-20)9-12-18-6-4-5-15-25(18)22(28)21-16-26(24-23-21)19-7-2-1-3-8-19/h10-11,13-14,16,18-19,27H,1-9,12,15H2/t18-/m0/s1
InChIKeyQDSXUWCTIPQZQQ-SFHVURJKSA-N
MW382.51 g/mol
LogP4.12
Rot. Bonds5

About (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 42346388) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID42346388
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1CCc1ccc(O)cc1
InChIInChI=1S/C22H30N4O2/c27-20-13-10-17(11-14-20)9-12-18-6-4-5-15-25(18)22(28)21-16-26(24-23-21)19-7-2-1-3-8-19/h10-11,13-14,16,18-19,27H,1-9,12,15H2/t18-/m0/s1
InChIKeyQDSXUWCTIPQZQQ-SFHVURJKSA-N
XLogP4.12
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-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

Related Compounds

(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 42384261
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46990595
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 96573273
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42462335
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (CID 42346388) is (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is O=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1CCc1ccc(O)cc1.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is QDSXUWCTIPQZQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-20-13-10-17(11-14-20)9-12-18-6-4-5-15-25(18)22(28)21-16-26(24-23-21)19-7-2-1-3-8-19/h10-11,13-14,16,18-19,27H,1-9,12,15H2/t18-/m0/s1.
What are the key properties of (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42346388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).