1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one

C19H26F3N3O2 — CID 136546454

IUPAC1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(N(C)C2CCN(CC(F)(F)F)CC2)C1=O
InChIInChI=1S/C19H26F3N3O2/c1-23(14-7-10-24(11-8-14)13-19(20,21)22)16-9-12-25(18(16)26)15-5-3-4-6-17(15)27-2/h3-6,14,16H,7-13H2,1-2H3
InChIKeyBGIKICBBNCRXMZ-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one

1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 136546454) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one
PubChem CID136546454
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(N(C)C2CCN(CC(F)(F)F)CC2)C1=O
InChIInChI=1S/C19H26F3N3O2/c1-23(14-7-10-24(11-8-14)13-19(20,21)22)16-9-12-25(18(16)26)15-5-3-4-6-17(15)27-2/h3-6,14,16H,7-13H2,1-2H3
InChIKeyBGIKICBBNCRXMZ-UHFFFAOYSA-N
XLogP2.76
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one (CID 136546454) is 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one is COc1ccccc1N1CCC(N(C)C2CCN(CC(F)(F)F)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is BGIKICBBNCRXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-23(14-7-10-24(11-8-14)13-19(20,21)22)16-9-12-25(18(16)26)15-5-3-4-6-17(15)27-2/h3-6,14,16H,7-13H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 385.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 136546454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).