3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide

C17H21N5O3 — CID 70771730

IUPAC3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C17H21N5O3/c18-17(24)22-8-4-7-13(11-22)16(23)19-10-14-20-15(25-21-14)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,18,24)(H,19,23)
InChIKeyKONHDKAIEDOJRS-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.07
Rot. Bonds5

About 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide

3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 70771730) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID70771730
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C17H21N5O3/c18-17(24)22-8-4-7-13(11-22)16(23)19-10-14-20-15(25-21-14)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,18,24)(H,19,23)
InChIKeyKONHDKAIEDOJRS-UHFFFAOYSA-N
XLogP1.07
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide (CID 70771730) is 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1.
What is the InChIKey of 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is KONHDKAIEDOJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-17(24)22-8-4-7-13(11-22)16(23)19-10-14-20-15(25-21-14)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,18,24)(H,19,23).
What are the key properties of 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70771730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).