[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

C17H28F3N3O2 — CID 126809155

IUPAC[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H28F3N3O2/c1-13-15(22-8-10-25-11-9-22)4-7-23(13)16(24)14-2-5-21(6-3-14)12-17(18,19)20/h13-15H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyYJMFGOILIQVWPA-UKRRQHHQSA-N
MW363.42 g/mol
LogP1.58
Rot. Bonds3

About [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (PubChem CID 126809155) has the molecular formula C17H28F3N3O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
PubChem CID126809155
Molecular FormulaC17H28F3N3O2
Molecular Weight363.42 g/mol
Exact Mass363.21
IUPAC Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H28F3N3O2/c1-13-15(22-8-10-25-11-9-22)4-7-23(13)16(24)14-2-5-21(6-3-14)12-17(18,19)20/h13-15H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyYJMFGOILIQVWPA-UKRRQHHQSA-N
XLogP1.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (CID 126809155) is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The InChIKey is YJMFGOILIQVWPA-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H28F3N3O2/c1-13-15(22-8-10-25-11-9-22)4-7-23(13)16(24)14-2-5-21(6-3-14)12-17(18,19)20/h13-15H,2-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 126809155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).