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

C25H29FN4O2 — CID 43927818

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1
InChIInChI=1S/C25H29FN4O2/c1-16-4-5-17(2)22(14-16)18(3)27-25(31)20-10-12-30(13-11-20)15-23-28-24(29-32-23)19-6-8-21(26)9-7-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,27,31)
InChIKeyXYHHJPRSTZEAHV-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.58
Rot. Bonds6

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

N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43927818) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43927818
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1
InChIInChI=1S/C25H29FN4O2/c1-16-4-5-17(2)22(14-16)18(3)27-25(31)20-10-12-30(13-11-20)15-23-28-24(29-32-23)19-6-8-21(26)9-7-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,27,31)
InChIKeyXYHHJPRSTZEAHV-UHFFFAOYSA-N
XLogP4.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 43927879
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927808
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43927863
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926800
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 33083933
N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151883
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43926889
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43927818) is N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is Cc1ccc(C)c(C(C)NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is XYHHJPRSTZEAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-16-4-5-17(2)22(14-16)18(3)27-25(31)20-10-12-30(13-11-20)15-23-28-24(29-32-23)19-6-8-21(26)9-7-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,27,31).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).