1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one

C19H23F3N2O3 — CID 45206577

IUPAC1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-5-3-4-14(10-15)11-16-12-24(8-9-27-16)18(26)13-23-7-2-1-6-17(23)25/h3-5,10,16H,1-2,6-9,11-13H2
InChIKeyBSINEAYVAGREKN-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.49
Rot. Bonds4

About 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one

1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one (PubChem CID 45206577) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one
PubChem CID45206577
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-5-3-4-14(10-15)11-16-12-24(8-9-27-16)18(26)13-23-7-2-1-6-17(23)25/h3-5,10,16H,1-2,6-9,11-13H2
InChIKeyBSINEAYVAGREKN-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one (CID 45206577) is 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one?
The InChIKey is BSINEAYVAGREKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)15-5-3-4-14(10-15)11-16-12-24(8-9-27-16)18(26)13-23-7-2-1-6-17(23)25/h3-5,10,16H,1-2,6-9,11-13H2.
What are the key properties of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one?
1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 45206577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).