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

C29H29ClN4O5 — CID 43927635

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4OC)CC3)n2)cc1
InChIInChI=1S/C29H29ClN4O5/c1-36-22-10-7-19(8-11-22)28-32-27(39-33-28)18-34-15-13-20(14-16-34)29(35)31-23-17-21(30)9-12-24(23)38-26-6-4-3-5-25(26)37-2/h3-12,17,20H,13-16,18H2,1-2H3,(H,31,35)
InChIKeySATDNKJOBJCSDV-UHFFFAOYSA-N
MW549.03 g/mol
LogP6.05
Rot. Bonds9

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

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43927635) has the molecular formula C29H29ClN4O5 and a molecular weight of 549.03 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43927635
Molecular FormulaC29H29ClN4O5
Molecular Weight549.03 g/mol
Exact Mass548.18
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4OC)CC3)n2)cc1
InChIInChI=1S/C29H29ClN4O5/c1-36-22-10-7-19(8-11-22)28-32-27(39-33-28)18-34-15-13-20(14-16-34)29(35)31-23-17-21(30)9-12-24(23)38-26-6-4-3-5-25(26)37-2/h3-12,17,20H,13-16,18H2,1-2H3,(H,31,35)
InChIKeySATDNKJOBJCSDV-UHFFFAOYSA-N
XLogP6.05
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.03
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928087
N-(5-chloro-2-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115243
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
CID 38143972
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
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-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148418
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]piperidine-3-carboxamide
CID 43933182
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43928237
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43927635) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4OC)CC3)n2)cc1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is SATDNKJOBJCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O5/c1-36-22-10-7-19(8-11-22)28-32-27(39-33-28)18-34-15-13-20(14-16-34)29(35)31-23-17-21(30)9-12-24(23)38-26-6-4-3-5-25(26)37-2/h3-12,17,20H,13-16,18H2,1-2H3,(H,31,35).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 549.03 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).