(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C75H67F3N12O16 — CID 159598469

About (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 159598469) has the molecular formula C75H67F3N12O16 and a molecular weight of 1449.42 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

• Compound Name: (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• PubChem CID: 159598469
• Molecular Formula: C75H67F3N12O16
• Molecular Weight: 1449.42 g/mol
• Exact Mass: 1448.48
• IUPAC Name: (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• SMILES: CC(C)(C)OC(=O)N1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.CN1C(=O)C[C@H](OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)C1=O.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C28H25FN4O4.C26H27FN4O6.C21H15FN4O6/c29-24-12-5-4-11-23(24)27-30-25(32-37-27)20-9-6-10-21(17-20)26(34)31-28(35)36-22-13-15-33(16-14-22)18-19-7-2-1-3-8-19;1-26(2,3)36-25(34)31-13-11-18(12-14-31)35-24(33)29-22(32)17-8-6-7-16(15-17)21-28-23(37-30-21)19-9-4-5-10-20(19)27;1-26-16(27)10-15(20(26)29)31-21(30)24-18(28)12-6-4-5-11(9-12)17-23-19(32-25-17)13-7-2-3-8-14(13)22/h1-12,17,22H,13-16,18H2,(H,31,34,35);4-10,15,18H,11-14H2,1-3H3,(H,29,32,33);2-9,15H,10H2,1H3,(H,24,28,30)/t;;15-/m..0/s1
• InChIKey: MLDQFEAZMXATQN-BDPULHTRSA-N
• XLogP: 12.05
• TPSA: 353.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.42
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The IUPAC name of (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 159598469) is (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

What is the SMILES notation for (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The canonical SMILES for (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is CC(C)(C)OC(=O)N1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.CN1C(=O)C[C@H](OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)C1=O.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCN(Cc2ccccc2)CC1.

What is the InChIKey of (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The InChIKey is MLDQFEAZMXATQN-BDPULHTRSA-N. The full InChI is InChI=1S/C28H25FN4O4.C26H27FN4O6.C21H15FN4O6/c29-24-12-5-4-11-23(24)27-30-25(32-37-27)20-9-6-10-21(17-20)26(34)31-28(35)36-22-13-15-33(16-14-22)18-19-7-2-1-3-8-19;1-26(2,3)36-25(34)31-13-11-18(12-14-31)35-24(33)29-22(32)17-8-6-7-16(15-17)21-28-23(37-30-21)19-9-4-5-10-20(19)27;1-26-16(27)10-15(20(26)29)31-21(30)24-18(28)12-6-4-5-11(9-12)17-23-19(32-25-17)13-7-2-3-8-14(13)22/h1-12,17,22H,13-16,18H2,(H,31,34,35);4-10,15,18H,11-14H2,1-3H3,(H,29,32,33);2-9,15H,10H2,1H3,(H,24,28,30)/t;;15-/m..0/s1.

What are the key properties of (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 1449.42 g/mol, XLogP of 12.05, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 159598469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).