1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide

C15H17N4O4+ — CID 53290314

IUPAC1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2c(=O)o[nH][n+]2-c2ccccc2)CC1
InChIInChI=1S/C15H16N4O4/c16-13(20)10-6-8-18(9-7-10)14(21)12-15(22)23-17-19(12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2-,16,17,20,21,22)/p+1
InChIKeyHMJRDLLYIANJPR-UHFFFAOYSA-O
MW317.32 g/mol
LogP-0.42
Rot. Bonds3

About 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide

1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide (PubChem CID 53290314) has the molecular formula C15H17N4O4+ and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide
PubChem CID53290314
Molecular FormulaC15H17N4O4+
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2c(=O)o[nH][n+]2-c2ccccc2)CC1
InChIInChI=1S/C15H16N4O4/c16-13(20)10-6-8-18(9-7-10)14(21)12-15(22)23-17-19(12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2-,16,17,20,21,22)/p+1
InChIKeyHMJRDLLYIANJPR-UHFFFAOYSA-O
XLogP-0.42
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
2-[2-(4-carbamoylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119179243
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide
CID 108803582
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
1-N-(1-phenylcyclopentyl)piperidine-1,4-dicarboxamide
CID 110676498
1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 71899552
1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
CID 19132814
1-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 107355898
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide (CID 53290314) is 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2c(=O)o[nH][n+]2-c2ccccc2)CC1.
What is the InChIKey of 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is HMJRDLLYIANJPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N4O4/c16-13(20)10-6-8-18(9-7-10)14(21)12-15(22)23-17-19(12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2-,16,17,20,21,22)/p+1.
What are the key properties of 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide?
1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 53290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).