N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide

C18H22N4O3 — CID 72844865

IUPACN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CCC1=O
InChIInChI=1S/C18H22N4O3/c1-2-22-12-14(8-9-17(22)23)18(24)19-11-15-20-16(25-21-15)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,19,24)
InChIKeyQYXTVIPGJWYIBS-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.54
Rot. Bonds6

About N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide (PubChem CID 72844865) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide
PubChem CID72844865
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CCC1=O
InChIInChI=1S/C18H22N4O3/c1-2-22-12-14(8-9-17(22)23)18(24)19-11-15-20-16(25-21-15)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,19,24)
InChIKeyQYXTVIPGJWYIBS-UHFFFAOYSA-N
XLogP1.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide (CID 72844865) is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide is CCN1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CCC1=O.
What is the InChIKey of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
The InChIKey is QYXTVIPGJWYIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-22-12-14(8-9-17(22)23)18(24)19-11-15-20-16(25-21-15)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,19,24).
What are the key properties of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72844865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).