sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane

C45H75N10NaO8 — CID 172956742

About sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane

sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane (PubChem CID 172956742) has the molecular formula C45H75N10NaO8 and a molecular weight of 907.15 g/mol. Its IUPAC name is sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane.

Molecular Properties

• Compound Name: sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane
• PubChem CID: 172956742
• Molecular Formula: C45H75N10NaO8
• Molecular Weight: 907.15 g/mol
• Exact Mass: 906.57
• IUPAC Name: sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane
• SMILES: C1CC(c2nc(C3CC3)no2)CCN1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(c2nc(C3CC3)no2)CC1.COC(=O)C1CCN(C)CC1.N#CC1CC1.N/C(=N\O)C1CC1.[H-].[Na+]
• InChI: InChI=1S/C15H23N3O3.C10H15N3O.C8H15NO2.C4H8N2O.C4H5N.C4H8O.Na.H/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-16-12(17-21-13)10-4-5-10;1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8;1-9-5-3-7(4-6-9)8(10)11-2;5-4(6-7)3-1-2-3;5-3-4-1-2-4;1-2-4-5-3-1;;/h10-11H,4-9H2,1-3H3;7-8,11H,1-6H2;7H,3-6H2,1-2H3;3,7H,1-2H2,(H2,5,6);4H,1-2H2;1-4H2;;/q;;;;;;+1;-1
• InChIKey: RMLZDHMBENMHFF-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 240.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.15
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane?

The IUPAC name of sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane (CID 172956742) is sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane.

What is the SMILES notation for sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane?

The canonical SMILES for sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane is C1CC(c2nc(C3CC3)no2)CCN1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(c2nc(C3CC3)no2)CC1.COC(=O)C1CCN(C)CC1.N#CC1CC1.N/C(=N\O)C1CC1.[H-].[Na+].

What is the InChIKey of sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane?

The InChIKey is RMLZDHMBENMHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.C10H15N3O.C8H15NO2.C4H8N2O.C4H5N.C4H8O.Na.H/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-16-12(17-21-13)10-4-5-10;1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8;1-9-5-3-7(4-6-9)8(10)11-2;5-4(6-7)3-1-2-3;5-3-4-1-2-4;1-2-4-5-3-1;;/h10-11H,4-9H2,1-3H3;7-8,11H,1-6H2;7H,3-6H2,1-2H3;3,7H,1-2H2,(H2,5,6);4H,1-2H2;1-4H2;;/q;;;;;;+1;-1.

What are the key properties of sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane?

sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane has a molecular weight of 907.15 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;cyclopropanecarbonitrile;3-cyclopropyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydride;N'-hydroxycyclopropanecarboximidamide;methyl 1-methylpiperidine-4-carboxylate;oxolane is sourced from PubChem (CID 172956742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).