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

C20H23N5O2S — CID 71794409

IUPAC1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCc1noc(-c2ccc(N3CCCC(C(=O)NC(C)c4cccs4)C3)nc2)n1
InChIInChI=1S/C20H23N5O2S/c1-13(17-6-4-10-28-17)22-19(26)16-5-3-9-25(12-16)18-8-7-15(11-21-18)20-23-14(2)24-27-20/h4,6-8,10-11,13,16H,3,5,9,12H2,1-2H3,(H,22,26)
InChIKeyLOUIPDYPUXXXNY-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.60
Rot. Bonds5

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

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide (PubChem CID 71794409) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
PubChem CID71794409
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCc1noc(-c2ccc(N3CCCC(C(=O)NC(C)c4cccs4)C3)nc2)n1
InChIInChI=1S/C20H23N5O2S/c1-13(17-6-4-10-28-17)22-19(26)16-5-3-9-25(12-16)18-8-7-15(11-21-18)20-23-14(2)24-27-20/h4,6-8,10-11,13,16H,3,5,9,12H2,1-2H3,(H,22,26)
InChIKeyLOUIPDYPUXXXNY-UHFFFAOYSA-N
XLogP3.60
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide (CID 71794409) is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide is Cc1noc(-c2ccc(N3CCCC(C(=O)NC(C)c4cccs4)C3)nc2)n1.
What is the InChIKey of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is LOUIPDYPUXXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13(17-6-4-10-28-17)22-19(26)16-5-3-9-25(12-16)18-8-7-15(11-21-18)20-23-14(2)24-27-20/h4,6-8,10-11,13,16H,3,5,9,12H2,1-2H3,(H,22,26).
What are the key properties of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71794409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).