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

C12H20F3N3O2 — CID 66266435

IUPAC[4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O2/c1-16-10-7-20-6-9(10)11(19)18-4-2-17(3-5-18)8-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyKWRKFCNOXMKLDH-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.07
Rot. Bonds3

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

[4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 66266435) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID66266435
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name[4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O2/c1-16-10-7-20-6-9(10)11(19)18-4-2-17(3-5-18)8-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyKWRKFCNOXMKLDH-UHFFFAOYSA-N
XLogP-0.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 66266435) is [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is CNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is KWRKFCNOXMKLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-16-10-7-20-6-9(10)11(19)18-4-2-17(3-5-18)8-12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 295.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66266435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).