1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one

C17H20F3N3O3 — CID 71798776

IUPAC1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1=O
InChIInChI=1S/C17H20F3N3O3/c1-22-10-11(8-15(22)24)16(25)23-6-4-13(5-7-23)26-14-3-2-12(9-21-14)17(18,19)20/h2-3,9,11,13H,4-8,10H2,1H3
InChIKeySKLKWDLDCPYRQW-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one

1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 71798776) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID71798776
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1=O
InChIInChI=1S/C17H20F3N3O3/c1-22-10-11(8-15(22)24)16(25)23-6-4-13(5-7-23)26-14-3-2-12(9-21-14)17(18,19)20/h2-3,9,11,13H,4-8,10H2,1H3
InChIKeySKLKWDLDCPYRQW-UHFFFAOYSA-N
XLogP1.95
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one (CID 71798776) is 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one is CN1CC(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SKLKWDLDCPYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-22-10-11(8-15(22)24)16(25)23-6-4-13(5-7-23)26-14-3-2-12(9-21-14)17(18,19)20/h2-3,9,11,13H,4-8,10H2,1H3.
What are the key properties of 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one?
1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 371.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 71798776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).