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

C22H30N4O — CID 42384261

IUPAC(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C22H30N4O/c27-22(21-17-26(24-23-21)20-12-5-2-6-13-20)25-16-8-7-11-19(25)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,17,19-20H,2,5-8,11-16H2/t19-/m0/s1
InChIKeyYVUDZUOEFPDLJV-IBGZPJMESA-N
MW366.51 g/mol
LogP4.41
Rot. Bonds5

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

(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 42384261) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID42384261
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C22H30N4O/c27-22(21-17-26(24-23-21)20-12-5-2-6-13-20)25-16-8-7-11-19(25)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,17,19-20H,2,5-8,11-16H2/t19-/m0/s1
InChIKeyYVUDZUOEFPDLJV-IBGZPJMESA-N
XLogP4.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
(2-phenylazepan-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119737784
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124701268
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 42384261) is (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1CCc1ccccc1.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is YVUDZUOEFPDLJV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O/c27-22(21-17-26(24-23-21)20-12-5-2-6-13-20)25-16-8-7-11-19(25)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,17,19-20H,2,5-8,11-16H2/t19-/m0/s1.
What are the key properties of (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42384261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).