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

C29H31N5O6 — CID 43931241

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4C(=O)NCc4ccco4)C3)n2)cc1OC
InChIInChI=1S/C29H31N5O6/c1-37-24-12-11-19(15-25(24)38-2)27-32-26(40-33-27)18-34-13-5-7-20(17-34)28(35)31-23-10-4-3-9-22(23)29(36)30-16-21-8-6-14-39-21/h3-4,6,8-12,14-15,20H,5,7,13,16-18H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyUZEOKUWNXYTXDF-UHFFFAOYSA-N
MW545.60 g/mol
LogP4.13
Rot. Bonds10

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

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43931241) has the molecular formula C29H31N5O6 and a molecular weight of 545.60 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43931241
Molecular FormulaC29H31N5O6
Molecular Weight545.60 g/mol
Exact Mass545.23
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4C(=O)NCc4ccco4)C3)n2)cc1OC
InChIInChI=1S/C29H31N5O6/c1-37-24-12-11-19(15-25(24)38-2)27-32-26(40-33-27)18-34-13-5-7-20(17-34)28(35)31-23-10-4-3-9-22(23)29(36)30-16-21-8-6-14-39-21/h3-4,6,8-12,14-15,20H,5,7,13,16-18H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyUZEOKUWNXYTXDF-UHFFFAOYSA-N
XLogP4.13
TPSA131.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931236
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148811
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931271
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-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931166
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927685
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43930918
(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 26773029
(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92901481
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43932548
(3R)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 26772913

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43931241) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4C(=O)NCc4ccco4)C3)n2)cc1OC.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is UZEOKUWNXYTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O6/c1-37-24-12-11-19(15-25(24)38-2)27-32-26(40-33-27)18-34-13-5-7-20(17-34)28(35)31-23-10-4-3-9-22(23)29(36)30-16-21-8-6-14-39-21/h3-4,6,8-12,14-15,20H,5,7,13,16-18H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 545.60 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 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-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43931241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).