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

C29H26F2N4O3 — CID 91395478

IUPAC4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4cccc(F)c4)(c4ccc(F)cc4)CC3)cc2)no1
InChIInChI=1S/C29H26F2N4O3/c1-19-33-26(34-38-19)21-5-7-22(8-6-21)27(36)35-15-13-29(14-16-35,23-9-11-24(30)12-10-23)28(37)32-18-20-3-2-4-25(31)17-20/h2-12,17H,13-16,18H2,1H3,(H,32,37)
InChIKeyYQXFWMIQQQLMLA-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.81
Rot. Bonds6

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

4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 91395478) has the molecular formula C29H26F2N4O3 and a molecular weight of 516.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
PubChem CID91395478
Molecular FormulaC29H26F2N4O3
Molecular Weight516.55 g/mol
Exact Mass516.20
IUPAC Name4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4cccc(F)c4)(c4ccc(F)cc4)CC3)cc2)no1
InChIInChI=1S/C29H26F2N4O3/c1-19-33-26(34-38-19)21-5-7-22(8-6-21)27(36)35-15-13-29(14-16-35,23-9-11-24(30)12-10-23)28(37)32-18-20-3-2-4-25(31)17-20/h2-12,17H,13-16,18H2,1H3,(H,32,37)
InChIKeyYQXFWMIQQQLMLA-UHFFFAOYSA-N
XLogP4.81
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527695
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
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
[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009964
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
(4-ethylpiperazin-1-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 50828587
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (CID 91395478) is 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4cccc(F)c4)(c4ccc(F)cc4)CC3)cc2)no1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is YQXFWMIQQQLMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O3/c1-19-33-26(34-38-19)21-5-7-22(8-6-21)27(36)35-15-13-29(14-16-35,23-9-11-24(30)12-10-23)28(37)32-18-20-3-2-4-25(31)17-20/h2-12,17H,13-16,18H2,1H3,(H,32,37).
What are the key properties of 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 91395478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).