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

C17H21F3N2O2 — CID 95990939

IUPAC(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1[C@@H](N2CCOCC2)CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-5-2-1-4-13(14)12-22-7-3-6-15(16(22)23)21-8-10-24-11-9-21/h1-2,4-5,15H,3,6-12H2/t15-/m0/s1
InChIKeyFQIBJMSPFQKZRI-HNNXBMFYSA-N
MW342.36 g/mol
LogP2.53
Rot. Bonds3

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

(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 95990939) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID95990939
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1[C@@H](N2CCOCC2)CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-5-2-1-4-13(14)12-22-7-3-6-15(16(22)23)21-8-10-24-11-9-21/h1-2,4-5,15H,3,6-12H2/t15-/m0/s1
InChIKeyFQIBJMSPFQKZRI-HNNXBMFYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 95990939) is (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one is O=C1[C@@H](N2CCOCC2)CCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is FQIBJMSPFQKZRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)14-5-2-1-4-13(14)12-22-7-3-6-15(16(22)23)21-8-10-24-11-9-21/h1-2,4-5,15H,3,6-12H2/t15-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 342.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 95990939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).