5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one

C20H24F3N5O — CID 146329253

IUPAC5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one
SMILESCC1CC(NCC2CCC(=O)N2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1
InChIInChI=1S/C20H24F3N5O/c1-12-8-14(26-9-13-2-5-17(29)27-13)11-28(10-12)16-4-3-15(20(21,22)23)18-19(16)25-7-6-24-18/h3-4,6-7,12-14,26H,2,5,8-11H2,1H3,(H,27,29)
InChIKeyJAMMPQCQYJIVRP-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.73
Rot. Bonds4

About 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one

5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 146329253) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one
PubChem CID146329253
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one
SMILESCC1CC(NCC2CCC(=O)N2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1
InChIInChI=1S/C20H24F3N5O/c1-12-8-14(26-9-13-2-5-17(29)27-13)11-28(10-12)16-4-3-15(20(21,22)23)18-19(16)25-7-6-24-18/h3-4,6-7,12-14,26H,2,5,8-11H2,1H3,(H,27,29)
InChIKeyJAMMPQCQYJIVRP-UHFFFAOYSA-N
XLogP2.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one (CID 146329253) is 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one is CC1CC(NCC2CCC(=O)N2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1.
What is the InChIKey of 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is JAMMPQCQYJIVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-12-8-14(26-9-13-2-5-17(29)27-13)11-28(10-12)16-4-3-15(20(21,22)23)18-19(16)25-7-6-24-18/h3-4,6-7,12-14,26H,2,5,8-11H2,1H3,(H,27,29).
What are the key properties of 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one?
5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 407.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146329253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).