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

C22H24N4O3 — CID 118712644

IUPACN-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(COc3ccccc3)no2)CC1
InChIInChI=1S/C22H24N4O3/c27-22(23-15-17-7-3-1-4-8-17)26-13-11-18(12-14-26)21-24-20(25-29-21)16-28-19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,23,27)
InChIKeyIIIMEFRKOKZZAP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.74
Rot. Bonds6

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

N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 118712644) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID118712644
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(COc3ccccc3)no2)CC1
InChIInChI=1S/C22H24N4O3/c27-22(23-15-17-7-3-1-4-8-17)26-13-11-18(12-14-26)21-24-20(25-29-21)16-28-19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,23,27)
InChIKeyIIIMEFRKOKZZAP-UHFFFAOYSA-N
XLogP3.74
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 118712644) is N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nc(COc3ccccc3)no2)CC1.
What is the InChIKey of N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is IIIMEFRKOKZZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-22(23-15-17-7-3-1-4-8-17)26-13-11-18(12-14-26)21-24-20(25-29-21)16-28-19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,23,27).
What are the key properties of N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118712644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).