1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide

C23H28N4O5S — CID 43935138

IUPAC1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)c(OC)c1OC
InChIInChI=1S/C23H28N4O5S/c1-29-17-9-8-15(20(30-2)21(17)31-3)12-24-23(28)16-6-4-10-27(13-16)14-19-25-22(26-32-19)18-7-5-11-33-18/h5,7-9,11,16H,4,6,10,12-14H2,1-3H3,(H,24,28)
InChIKeyDOOHHKYPRQCGLU-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.35
Rot. Bonds9

About 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide

1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43935138) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID43935138
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)c(OC)c1OC
InChIInChI=1S/C23H28N4O5S/c1-29-17-9-8-15(20(30-2)21(17)31-3)12-24-23(28)16-6-4-10-27(13-16)14-19-25-22(26-32-19)18-7-5-11-33-18/h5,7-9,11,16H,4,6,10,12-14H2,1-3H3,(H,24,28)
InChIKeyDOOHHKYPRQCGLU-UHFFFAOYSA-N
XLogP3.35
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(2-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934971
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935177
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934901
N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934906
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935135
N-[3-(4-methylpiperidin-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935179
N-cyclohexyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934907
N-[2-(2-chlorophenoxy)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935316
N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935254
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935314
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524

Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 43935138) is 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)c(OC)c1OC.
What is the InChIKey of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DOOHHKYPRQCGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-29-17-9-8-15(20(30-2)21(17)31-3)12-24-23(28)16-6-4-10-27(13-16)14-19-25-22(26-32-19)18-7-5-11-33-18/h5,7-9,11,16H,4,6,10,12-14H2,1-3H3,(H,24,28).
What are the key properties of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).