4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C31H25F7N4O3 — CID 59527906

IUPAC4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)NC(c4ccc(C(F)(F)F)cc4)C(F)(F)F)(c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C31H25F7N4O3/c1-18-39-26(45-41-18)20-2-4-21(5-3-20)27(43)42-16-14-29(15-17-42,22-10-12-24(32)13-11-22)28(44)40-25(31(36,37)38)19-6-8-23(9-7-19)30(33,34)35/h2-13,25H,14-17H2,1H3,(H,40,44)
InChIKeyBKSQPZXERGWHNA-UHFFFAOYSA-N
MW634.55 g/mol
LogP6.80
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 59527906) has the molecular formula C31H25F7N4O3 and a molecular weight of 634.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID59527906
Molecular FormulaC31H25F7N4O3
Molecular Weight634.55 g/mol
Exact Mass634.18
IUPAC Name4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)NC(c4ccc(C(F)(F)F)cc4)C(F)(F)F)(c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C31H25F7N4O3/c1-18-39-26(45-41-18)20-2-4-21(5-3-20)27(43)42-16-14-29(15-17-42,22-10-12-24(32)13-11-22)28(44)40-25(31(36,37)38)19-6-8-23(9-7-19)30(33,34)35/h2-13,25H,14-17H2,1H3,(H,40,44)
InChIKeyBKSQPZXERGWHNA-UHFFFAOYSA-N
XLogP6.80
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.55
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 59527840
N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 89018809
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527695
N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527752
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 33028744
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 171631157
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 91395478
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134047981
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
(4-ethylpiperazin-1-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 50828587

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 59527906) is 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is Cc1noc(-c2ccc(C(=O)N3CCC(C(=O)NC(c4ccc(C(F)(F)F)cc4)C(F)(F)F)(c4ccc(F)cc4)CC3)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is BKSQPZXERGWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F7N4O3/c1-18-39-26(45-41-18)20-2-4-21(5-3-20)27(43)42-16-14-29(15-17-42,22-10-12-24(32)13-11-22)28(44)40-25(31(36,37)38)19-6-8-23(9-7-19)30(33,34)35/h2-13,25H,14-17H2,1H3,(H,40,44).
What are the key properties of 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 634.55 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).