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

C18H19N5O3 — CID 90602032

IUPAC1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C18H19N5O3/c1-12-21-16(26-22-12)11-20-17(24)14-5-7-23(8-6-14)18(25)15-4-2-3-13(9-15)10-19/h2-4,9,14H,5-8,11H2,1H3,(H,20,24)
InChIKeyDPXIDJTVSXSGQR-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.42
Rot. Bonds4

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

1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90602032) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID90602032
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C18H19N5O3/c1-12-21-16(26-22-12)11-20-17(24)14-5-7-23(8-6-14)18(25)15-4-2-3-13(9-15)10-19/h2-4,9,14H,5-8,11H2,1H3,(H,20,24)
InChIKeyDPXIDJTVSXSGQR-UHFFFAOYSA-N
XLogP1.42
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.42
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-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 90602180
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
1-[4-(dimethylsulfamoyl)benzoyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 56724136
1-(5-bromopyridine-3-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602204
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-(quinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 90602247
1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602129
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602172
1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90602032) is 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)c3cccc(C#N)c3)CC2)n1.
What is the InChIKey of 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DPXIDJTVSXSGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-21-16(26-22-12)11-20-17(24)14-5-7-23(8-6-14)18(25)15-4-2-3-13(9-15)10-19/h2-4,9,14H,5-8,11H2,1H3,(H,20,24).
What are the key properties of 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).