(4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H20F3N3O2 — CID 61260344

IUPAC(4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCOC1CNC(C(=O)N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3N3O2/c1-20-9-6-10(16-7-9)11(19)18-4-2-17(3-5-18)8-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeySHJQMFQDTVXLQV-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.07
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61260344) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61260344
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name(4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCOC1CNC(C(=O)N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3N3O2/c1-20-9-6-10(16-7-9)11(19)18-4-2-17(3-5-18)8-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeySHJQMFQDTVXLQV-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61260344) is (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is COC1CNC(C(=O)N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is SHJQMFQDTVXLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-20-9-6-10(16-7-9)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-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-methoxypyrrolidin-2-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-methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61260344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).