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

C19H24N4O3 — CID 72850846

IUPAC1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCc2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H24N4O3/c1-14(24)23-11-5-8-16(13-23)19(25)20-10-9-18-21-17(22-26-18)12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,20,25)
InChIKeyQGBDMRBHOLAZGK-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.58
Rot. Bonds6

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

1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72850846) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID72850846
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCc2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H24N4O3/c1-14(24)23-11-5-8-16(13-23)19(25)20-10-9-18-21-17(22-26-18)12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,20,25)
InChIKeyQGBDMRBHOLAZGK-UHFFFAOYSA-N
XLogP1.58
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide (CID 72850846) is 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCc2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is QGBDMRBHOLAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(24)23-11-5-8-16(13-23)19(25)20-10-9-18-21-17(22-26-18)12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,20,25).
What are the key properties of 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72850846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).