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

C19H23N5O4 — CID 90602031

IUPAC1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H23N5O4/c1-13-22-16(28-23-13)11-20-19(27)15-7-9-24(10-8-15)17(25)12-21-18(26)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,20,27)(H,21,26)
InChIKeyMOAICNYBVVAIFM-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.66
Rot. Bonds6

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

1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90602031) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID90602031
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H23N5O4/c1-13-22-16(28-23-13)11-20-19(27)15-7-9-24(10-8-15)17(25)12-21-18(26)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,20,27)(H,21,26)
InChIKeyMOAICNYBVVAIFM-UHFFFAOYSA-N
XLogP0.66
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099
1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602032
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(quinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 90602247
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 90602103
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 56724099
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 90602180
1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602129
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90602031) is 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MOAICNYBVVAIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-22-16(28-23-13)11-20-19(27)15-7-9-24(10-8-15)17(25)12-21-18(26)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,20,27)(H,21,26).
What are the key properties of 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).