1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide

C32H35N5O5 — CID 43927685

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCCc4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C32H35N5O5/c1-40-27-13-12-24(20-28(27)41-2)30-35-29(42-36-30)21-37-18-15-23(16-19-37)31(38)34-26-11-7-6-10-25(26)32(39)33-17-14-22-8-4-3-5-9-22/h3-13,20,23H,14-19,21H2,1-2H3,(H,33,39)(H,34,38)
InChIKeyWYMHCPYRSZTIGB-UHFFFAOYSA-N
MW569.66 g/mol
LogP4.58
Rot. Bonds11

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43927685) has the molecular formula C32H35N5O5 and a molecular weight of 569.66 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43927685
Molecular FormulaC32H35N5O5
Molecular Weight569.66 g/mol
Exact Mass569.26
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCCc4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C32H35N5O5/c1-40-27-13-12-24(20-28(27)41-2)30-35-29(42-36-30)21-37-18-15-23(16-19-37)31(38)34-26-11-7-6-10-25(26)32(39)33-17-14-22-8-4-3-5-9-22/h3-13,20,23H,14-19,21H2,1-2H3,(H,33,39)(H,34,38)
InChIKeyWYMHCPYRSZTIGB-UHFFFAOYSA-N
XLogP4.58
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.66
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 43928012
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 43927203
N-[2-(benzylcarbamoyl)phenyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931236
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115317
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930071
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140358
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38142223
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38148796
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927202

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43927685) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCCc4ccccc4)CC3)n2)cc1OC.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is WYMHCPYRSZTIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O5/c1-40-27-13-12-24(20-28(27)41-2)30-35-29(42-36-30)21-37-18-15-23(16-19-37)31(38)34-26-11-7-6-10-25(26)32(39)33-17-14-22-8-4-3-5-9-22/h3-13,20,23H,14-19,21H2,1-2H3,(H,33,39)(H,34,38).
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 569.66 g/mol, XLogP of 4.58, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).