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

C19H24N4O4 — CID 90602129

IUPAC1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1
InChIInChI=1S/C19H24N4O4/c1-13-21-17(27-22-13)12-20-19(25)15-6-8-23(9-7-15)18(24)11-14-4-3-5-16(10-14)26-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,25)
InChIKeyLPBHSQRAKZIILU-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.48
Rot. Bonds6

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

1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90602129) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID90602129
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1
InChIInChI=1S/C19H24N4O4/c1-13-21-17(27-22-13)12-20-19(25)15-6-8-23(9-7-15)18(24)11-14-4-3-5-16(10-14)26-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,25)
InChIKeyLPBHSQRAKZIILU-UHFFFAOYSA-N
XLogP1.48
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602031
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 90602103
1-N-(2,3-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602146
1-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602270
1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602032
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90602129) is 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is COc1cccc(CC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LPBHSQRAKZIILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-21-17(27-22-13)12-20-19(25)15-6-8-23(9-7-15)18(24)11-14-4-3-5-16(10-14)26-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).