4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one

C23H24F3N3O3 — CID 56766000

IUPAC4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
SMILESO=C(C1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)18-7-4-8-19(13-18)27-9-11-28(12-10-27)22(31)20-15-32-16-21(30)29(20)14-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2
InChIKeyCVYBPCFNRMOUOE-UHFFFAOYSA-N
MW447.46 g/mol
LogP2.78
Rot. Bonds4

About 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one

4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one (PubChem CID 56766000) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
PubChem CID56766000
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
SMILESO=C(C1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)18-7-4-8-19(13-18)27-9-11-28(12-10-27)22(31)20-15-32-16-21(30)29(20)14-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2
InChIKeyCVYBPCFNRMOUOE-UHFFFAOYSA-N
XLogP2.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 56766002
(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
CID 136581023
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115060460
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
CID 119411274
[(2S,4S)-4-amino-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 118759697
1-propan-2-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 4296377
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
2-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 4177185
[(2S,4R)-1-benzyl-4-[(4-methoxy-2,3-dimethylphenyl)methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 45205381
[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38104074

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one?
The IUPAC name of 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one (CID 56766000) is 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one?
The canonical SMILES for 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one is O=C(C1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one?
The InChIKey is CVYBPCFNRMOUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-23(25,26)18-7-4-8-19(13-18)27-9-11-28(12-10-27)22(31)20-15-32-16-21(30)29(20)14-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2.
What are the key properties of 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one?
4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one has a molecular weight of 447.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 56766000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).