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

C18H22N4O3 — CID 72876902

IUPAC1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-9-5-8-15(12-22)18(24)19-11-16-20-17(25-21-16)10-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,24)
InChIKeyRVZDBNPVOUOEOZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.54
Rot. Bonds5

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

1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 72876902) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID72876902
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-9-5-8-15(12-22)18(24)19-11-16-20-17(25-21-16)10-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,24)
InChIKeyRVZDBNPVOUOEOZ-UHFFFAOYSA-N
XLogP1.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (CID 72876902) is 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1.
What is the InChIKey of 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RVZDBNPVOUOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)22-9-5-8-15(12-22)18(24)19-11-16-20-17(25-21-16)10-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,24).
What are the key properties of 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).