1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione

C22H22F3NO3 — CID 70285470

IUPAC1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(C)CN1C(=O)CCCC1=O
InChIInChI=1S/C22H22F3NO3/c1-14(13-26-20(27)4-3-5-21(26)28)18-12-16(8-11-19(18)29-2)15-6-9-17(10-7-15)22(23,24)25/h6-12,14H,3-5,13H2,1-2H3
InChIKeyWQXIHKXGNFTFQB-UHFFFAOYSA-N
MW405.42 g/mol
LogP5.02
Rot. Bonds5

About 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione

1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione (PubChem CID 70285470) has the molecular formula C22H22F3NO3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione
PubChem CID70285470
Molecular FormulaC22H22F3NO3
Molecular Weight405.42 g/mol
Exact Mass405.16
IUPAC Name1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(C)CN1C(=O)CCCC1=O
InChIInChI=1S/C22H22F3NO3/c1-14(13-26-20(27)4-3-5-21(26)28)18-12-16(8-11-19(18)29-2)15-6-9-17(10-7-15)22(23,24)25/h6-12,14H,3-5,13H2,1-2H3
InChIKeyWQXIHKXGNFTFQB-UHFFFAOYSA-N
XLogP5.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 92676550
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
CID 86032170
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111501517
5-[2-methoxy-4-(trifluoromethyl)phenyl]hexan-2-one
CID 83921367
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine
CID 70283976
2-[2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-1-yl]acetonitrile
CID 46202390
(2S)-3-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylsulfanyl-2-(pyridin-1-ium-1-ylamino)butanoic acid
CID 70282800

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione (CID 70285470) is 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione is COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(C)CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione?
The InChIKey is WQXIHKXGNFTFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO3/c1-14(13-26-20(27)4-3-5-21(26)28)18-12-16(8-11-19(18)29-2)15-6-9-17(10-7-15)22(23,24)25/h6-12,14H,3-5,13H2,1-2H3.
What are the key properties of 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione?
1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione has a molecular weight of 405.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperidine-2,6-dione is sourced from PubChem (CID 70285470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).