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

C18H22N4O3 — CID 90602058

IUPAC1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C18H22N4O3/c1-12-5-3-4-6-15(12)18(24)22-9-7-14(8-10-22)17(23)19-11-16-20-13(2)21-25-16/h3-6,14H,7-11H2,1-2H3,(H,19,23)
InChIKeyWUSJICCFTDALRK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.86
Rot. Bonds4

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

1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90602058) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID90602058
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C18H22N4O3/c1-12-5-3-4-6-15(12)18(24)22-9-7-14(8-10-22)17(23)19-11-16-20-13(2)21-25-16/h3-6,14H,7-11H2,1-2H3,(H,19,23)
InChIKeyWUSJICCFTDALRK-UHFFFAOYSA-N
XLogP1.86
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90602058) is 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)n1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WUSJICCFTDALRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-5-3-4-6-15(12)18(24)22-9-7-14(8-10-22)17(23)19-11-16-20-13(2)21-25-16/h3-6,14H,7-11H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).