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

C30H25F5N4O3 — CID 59527840

IUPAC4-(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
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](c4ccc(F)cc4)C(F)(F)F)(c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C30H25F5N4O3/c1-18-36-26(42-38-18)20-2-4-21(5-3-20)27(40)39-16-14-29(15-17-39,22-8-12-24(32)13-9-22)28(41)37-25(30(33,34)35)19-6-10-23(31)11-7-19/h2-13,25H,14-17H2,1H3,(H,37,41)/t25-/m0/s1
InChIKeyQPHPUIAARGAWIB-VWLOTQADSA-N
MW584.55 g/mol
LogP5.92
Rot. Bonds6

About 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

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 (PubChem CID 59527840) has the molecular formula C30H25F5N4O3 and a molecular weight of 584.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID59527840
Molecular FormulaC30H25F5N4O3
Molecular Weight584.55 g/mol
Exact Mass584.18
IUPAC Name4-(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
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](c4ccc(F)cc4)C(F)(F)F)(c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C30H25F5N4O3/c1-18-36-26(42-38-18)20-2-4-21(5-3-20)27(40)39-16-14-29(15-17-39,22-8-12-24(32)13-9-22)28(41)37-25(30(33,34)35)19-6-10-23(31)11-7-19/h2-13,25H,14-17H2,1H3,(H,37,41)/t25-/m0/s1
InChIKeyQPHPUIAARGAWIB-VWLOTQADSA-N
XLogP5.92
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.55
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[(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
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
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
[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
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39581438

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](c4ccc(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-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QPHPUIAARGAWIB-VWLOTQADSA-N. The full InChI is InChI=1S/C30H25F5N4O3/c1-18-36-26(42-38-18)20-2-4-21(5-3-20)27(40)39-16-14-29(15-17-39,22-8-12-24(32)13-9-22)28(41)37-25(30(33,34)35)19-6-10-23(31)11-7-19/h2-13,25H,14-17H2,1H3,(H,37,41)/t25-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 584.55 g/mol, XLogP of 5.92, 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-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).