[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C15H21F3N4O2 — CID 128975674

IUPAC[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O2/c1-20-4-3-19-13(20)12-11(2-9-24-12)14(23)22-7-5-21(6-8-22)10-15(16,17)18/h3-4,11-12H,2,5-10H2,1H3/t11-,12-/m1/s1
InChIKeyPGQPHTRMXVOPEH-VXGBXAGGSA-N
MW346.35 g/mol
LogP1.20
Rot. Bonds3

About [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 128975674) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID128975674
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O2/c1-20-4-3-19-13(20)12-11(2-9-24-12)14(23)22-7-5-21(6-8-22)10-15(16,17)18/h3-4,11-12H,2,5-10H2,1H3/t11-,12-/m1/s1
InChIKeyPGQPHTRMXVOPEH-VXGBXAGGSA-N
XLogP1.20
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 128970823
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone
CID 128987720
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128986472
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide
CID 126454672
(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107
(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167843656
(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128975447
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 128975674) is [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is PGQPHTRMXVOPEH-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-20-4-3-19-13(20)12-11(2-9-24-12)14(23)22-7-5-21(6-8-22)10-15(16,17)18/h3-4,11-12H,2,5-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 128975674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).