N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C28H26Cl2N4O4 — CID 43928087

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1
InChIInChI=1S/C28H26Cl2N4O4/c1-36-22-6-8-23(9-7-22)37-25-10-5-21(30)16-24(25)31-28(35)18-11-13-34(14-12-18)17-26-32-27(33-38-26)19-3-2-4-20(29)15-19/h2-10,15-16,18H,11-14,17H2,1H3,(H,31,35)
InChIKeyAAALKOITDDDWBS-UHFFFAOYSA-N
MW553.45 g/mol
LogP6.70
Rot. Bonds8

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43928087) has the molecular formula C28H26Cl2N4O4 and a molecular weight of 553.45 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43928087
Molecular FormulaC28H26Cl2N4O4
Molecular Weight553.45 g/mol
Exact Mass552.13
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1
InChIInChI=1S/C28H26Cl2N4O4/c1-36-22-6-8-23(9-7-22)37-25-10-5-21(30)16-24(25)31-28(35)18-11-13-34(14-12-18)17-26-32-27(33-38-26)19-3-2-4-20(29)15-19/h2-10,15-16,18H,11-14,17H2,1H3,(H,31,35)
InChIKeyAAALKOITDDDWBS-UHFFFAOYSA-N
XLogP6.70
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.45
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115243
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927635
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934454
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933605
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43934100
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
CID 38143972
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]piperidine-3-carboxamide
CID 43933182
N-(2-methoxy-5-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38139878
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38155254
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 38156789

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43928087) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is AAALKOITDDDWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O4/c1-36-22-6-8-23(9-7-22)37-25-10-5-21(30)16-24(25)31-28(35)18-11-13-34(14-12-18)17-26-32-27(33-38-26)19-3-2-4-20(29)15-19/h2-10,15-16,18H,11-14,17H2,1H3,(H,31,35).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 553.45 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).