1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C21H23N5O2 — CID 53166886

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccnc4)CC3)o2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-4-6-18(7-5-15)20-24-25-21(28-20)26-11-8-17(9-12-26)19(27)23-14-16-3-2-10-22-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyOEMOYXFZINJDLP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.97
Rot. Bonds5

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 53166886) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID53166886
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccnc4)CC3)o2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-4-6-18(7-5-15)20-24-25-21(28-20)26-11-8-17(9-12-26)19(27)23-14-16-3-2-10-22-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyOEMOYXFZINJDLP-UHFFFAOYSA-N
XLogP2.97
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 53166886) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccnc4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is OEMOYXFZINJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-4-6-18(7-5-15)20-24-25-21(28-20)26-11-8-17(9-12-26)19(27)23-14-16-3-2-10-22-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53166886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).