5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C18H21F3N2O3 — CID 24793024

IUPAC5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCOCC2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-3-1-2-13(10-15)11-23-12-14(4-5-16(23)24)17(25)22-6-8-26-9-7-22/h1-3,10,14H,4-9,11-12H2
InChIKeyPLEKVHOIRLOTPQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.30
Rot. Bonds3

About 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24793024) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24793024
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCOCC2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-3-1-2-13(10-15)11-23-12-14(4-5-16(23)24)17(25)22-6-8-26-9-7-22/h1-3,10,14H,4-9,11-12H2
InChIKeyPLEKVHOIRLOTPQ-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,8R,8aS)-2-benzyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 24747517
N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
5-(1,2-Oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 24793450
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793871
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332
Ethyl 1-({6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24817098
5-(1-Azepanylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24818859
6-oxo-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24819450
4-keto-4-morpholino-N-[3-(trifluoromethyl)benzyl]butyramide
CID 25162200
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
US11179399, Example 16
CID 163200012

Frequently Asked Questions

What is the IUPAC name of 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24793024) is 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is O=C1CCC(C(=O)N2CCOCC2)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is PLEKVHOIRLOTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)15-3-1-2-13(10-15)11-23-12-14(4-5-16(23)24)17(25)22-6-8-26-9-7-22/h1-3,10,14H,4-9,11-12H2.
What are the key properties of 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 370.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholine-4-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24793024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).