4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one

C17H21F3N2O2 — CID 162533422

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c1-11-10-24-7-6-22(11)12-8-15(21-16(23)9-12)13-4-2-3-5-14(13)17(18,19)20/h2-5,11-12,15H,6-10H2,1H3,(H,21,23)/t11-,12?,15?/m1/s1
InChIKeyKKZFHRFZBVWBTA-XIKARTHZSA-N
MW342.36 g/mol
LogP2.75
Rot. Bonds2

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 162533422) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID162533422
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c1-11-10-24-7-6-22(11)12-8-15(21-16(23)9-12)13-4-2-3-5-14(13)17(18,19)20/h2-5,11-12,15H,6-10H2,1H3,(H,21,23)/t11-,12?,15?/m1/s1
InChIKeyKKZFHRFZBVWBTA-XIKARTHZSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
CID 162533421
6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
CID 163200031
4-(3-methylmorpholin-4-yl)oxolan-2-one
CID 131085919
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
CID 141014652
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
4-(3-bicyclo[3.1.0]hexanyl)-3-methylmorpholine
CID 144865906
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one
CID 146674738
2,2-diethyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81415107
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2377275

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one (CID 162533422) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is KKZFHRFZBVWBTA-XIKARTHZSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11-10-24-7-6-22(11)12-8-15(21-16(23)9-12)13-4-2-3-5-14(13)17(18,19)20/h2-5,11-12,15H,6-10H2,1H3,(H,21,23)/t11-,12?,15?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 342.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 162533422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).