[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate

C21H28N4O3 — CID 46862299

IUPAC[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1
InChIInChI=1S/C21H28N4O3/c26-21(14-17-6-2-1-3-7-17)28-20-9-5-4-8-19(20)25-16-18(22-23-25)15-24-10-12-27-13-11-24/h1-3,6-7,16,19-20H,4-5,8-15H2/t19-,20-/m1/s1
InChIKeyWEIHQDAGPYFALW-WOJBJXKFSA-N
MW384.48 g/mol
LogP2.38
Rot. Bonds6

About [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate

[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate (PubChem CID 46862299) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate.

Molecular Properties

Compound Name[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate
PubChem CID46862299
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1
InChIInChI=1S/C21H28N4O3/c26-21(14-17-6-2-1-3-7-17)28-20-9-5-4-8-19(20)25-16-18(22-23-25)15-24-10-12-27-13-11-24/h1-3,6-7,16,19-20H,4-5,8-15H2/t19-,20-/m1/s1
InChIKeyWEIHQDAGPYFALW-WOJBJXKFSA-N
XLogP2.38
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate
CID 46862517
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 31054807
cyclopropyl 2-phenylacetate
CID 135066962
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
CID 1106174
4-[(1-methyltriazol-4-yl)methyl]morpholine
CID 130163626
(4-ethylmorpholin-2-yl) 2-phenylacetate
CID 142769710
1-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 126440982
piperidin-2-yl 2-phenylacetate
CID 154340125

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate?
The IUPAC name of [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate (CID 46862299) is [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate.
What is the SMILES notation for [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate?
The canonical SMILES for [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate is O=C(Cc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1.
What is the InChIKey of [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate?
The InChIKey is WEIHQDAGPYFALW-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-21(14-17-6-2-1-3-7-17)28-20-9-5-4-8-19(20)25-16-18(22-23-25)15-24-10-12-27-13-11-24/h1-3,6-7,16,19-20H,4-5,8-15H2/t19-,20-/m1/s1.
What are the key properties of [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate?
[(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate has a molecular weight of 384.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]cyclohexyl] 2-phenylacetate is sourced from PubChem (CID 46862299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).