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

C18H24N4O3 — CID 71686988

IUPACN-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
SMILESCCc1noc(COC2CCCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O3/c1-2-16-20-17(25-21-16)13-24-15-9-6-10-22(12-15)18(23)19-11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)
InChIKeyOVGTVDPEZSQYOK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.52
Rot. Bonds6

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

N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide (PubChem CID 71686988) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
PubChem CID71686988
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
SMILESCCc1noc(COC2CCCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O3/c1-2-16-20-17(25-21-16)13-24-15-9-6-10-22(12-15)18(23)19-11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)
InChIKeyOVGTVDPEZSQYOK-UHFFFAOYSA-N
XLogP2.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide (CID 71686988) is N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide is CCc1noc(COC2CCCN(C(=O)NCc3ccccc3)C2)n1.
What is the InChIKey of N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
The InChIKey is OVGTVDPEZSQYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-16-20-17(25-21-16)13-24-15-9-6-10-22(12-15)18(23)19-11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23).
What are the key properties of N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide is sourced from PubChem (CID 71686988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).