5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one

C24H25F4N3O3 — CID 74794143

IUPAC5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one
SMILESO=C1CC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)NCC1OCc1ccc(F)cc1
InChIInChI=1S/C24H25F4N3O3/c25-18-6-4-16(5-7-18)15-34-22-14-29-20(13-21(22)32)23(33)31-10-8-30(9-11-31)19-3-1-2-17(12-19)24(26,27)28/h1-7,12,20,22,29H,8-11,13-15H2
InChIKeyZYHQLZHNVCVPQF-UHFFFAOYSA-N
MW479.47 g/mol
LogP3.01
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one

5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one (PubChem CID 74794143) has the molecular formula C24H25F4N3O3 and a molecular weight of 479.47 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one
PubChem CID74794143
Molecular FormulaC24H25F4N3O3
Molecular Weight479.47 g/mol
Exact Mass479.18
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one
SMILESO=C1CC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)NCC1OCc1ccc(F)cc1
InChIInChI=1S/C24H25F4N3O3/c25-18-6-4-16(5-7-18)15-34-22-14-29-20(13-21(22)32)23(33)31-10-8-30(9-11-31)19-3-1-2-17(12-19)24(26,27)28/h1-7,12,20,22,29H,8-11,13-15H2
InChIKeyZYHQLZHNVCVPQF-UHFFFAOYSA-N
XLogP3.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38104074
[(2S,4S)-4-azidopyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 118760123
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119883024
(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44509797
5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 67564066
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
(Z)-1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
CID 20840783
[2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl] acetate
CID 5018131
4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
CID 56766000
1-[4-[1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11703667

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one (CID 74794143) is 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one is O=C1CC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)NCC1OCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one?
The InChIKey is ZYHQLZHNVCVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N3O3/c25-18-6-4-16(5-7-18)15-34-22-14-29-20(13-21(22)32)23(33)31-10-8-30(9-11-31)19-3-1-2-17(12-19)24(26,27)28/h1-7,12,20,22,29H,8-11,13-15H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one?
5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one has a molecular weight of 479.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one is sourced from PubChem (CID 74794143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).