4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride

C70H81Cl2F11N14O15 — CID 163493147

About 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride

4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride (PubChem CID 163493147) has the molecular formula C70H81Cl2F11N14O15 and a molecular weight of 1638.38 g/mol. Its IUPAC name is 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride.

Molecular Properties

• Compound Name: 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride
• PubChem CID: 163493147
• Molecular Formula: C70H81Cl2F11N14O15
• Molecular Weight: 1638.38 g/mol
• Exact Mass: 1636.52
• IUPAC Name: 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride
• SMILES: COC(=O)C1(OC)CCN(c2nc(F)c(F)cc2F)CC1.COC(=O)C1(OC)CCNCC1.COc1nc(N2CCC(OC)(C(=O)N3CCOc4c(C#N)cncc4C3)CC2)c(F)cc1F.COc1nc(N2CCC(OC)(C(=O)O)CC2)c(F)cc1F.Cl.Cl.Fc1cc(F)c(F)nc1F.N#Cc1cncc2c1OCCNC2
• InChI: InChI=1S/C22H23F2N5O4.C13H15F3N2O3.C13H16F2N2O4.C9H9N3O.C8H15NO3.C5HF4N.2ClH/c1-31-20-17(24)9-16(23)19(27-20)28-5-3-22(32-2,4-6-28)21(30)29-7-8-33-18-14(10-25)11-26-12-15(18)13-29;1-20-12(19)13(21-2)3-5-18(6-4-13)11-9(15)7-8(14)10(16)17-11;1-20-11-9(15)7-8(14)10(16-11)17-5-3-13(21-2,4-6-17)12(18)19;10-3-7-4-12-6-8-5-11-1-2-13-9(7)8;1-11-7(10)8(12-2)3-5-9-6-4-8;6-2-1-3(7)5(9)10-4(2)8;;/h9,11-12H,3-8,13H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,18,19);4,6,11H,1-2,5H2;9H,3-6H2,1-2H3;1H;2*1H
• InChIKey: YXWHTQWXSUSGOM-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 342.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.38
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride?

The IUPAC name of 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride (CID 163493147) is 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride.

What is the SMILES notation for 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride?

The canonical SMILES for 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride is COC(=O)C1(OC)CCN(c2nc(F)c(F)cc2F)CC1.COC(=O)C1(OC)CCNCC1.COc1nc(N2CCC(OC)(C(=O)N3CCOc4c(C#N)cncc4C3)CC2)c(F)cc1F.COc1nc(N2CCC(OC)(C(=O)O)CC2)c(F)cc1F.Cl.Cl.Fc1cc(F)c(F)nc1F.N#Cc1cncc2c1OCCNC2.

What is the InChIKey of 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride?

The InChIKey is YXWHTQWXSUSGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4.C13H15F3N2O3.C13H16F2N2O4.C9H9N3O.C8H15NO3.C5HF4N.2ClH/c1-31-20-17(24)9-16(23)19(27-20)28-5-3-22(32-2,4-6-28)21(30)29-7-8-33-18-14(10-25)11-26-12-15(18)13-29;1-20-12(19)13(21-2)3-5-18(6-4-13)11-9(15)7-8(14)10(16)17-11;1-20-11-9(15)7-8(14)10(16-11)17-5-3-13(21-2,4-6-17)12(18)19;10-3-7-4-12-6-8-5-11-1-2-13-9(7)8;1-11-7(10)8(12-2)3-5-9-6-4-8;6-2-1-3(7)5(9)10-4(2)8;;/h9,11-12H,3-8,13H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,18,19);4,6,11H,1-2,5H2;9H,3-6H2,1-2H3;1H;2*1H.

What are the key properties of 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride?

4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride has a molecular weight of 1638.38 g/mol, XLogP of 7.98, 13 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile;1-(3,5-difluoro-6-methoxy-2-pyridinyl)-4-methoxypiperidine-4-carboxylic acid;methyl 4-methoxypiperidine-4-carboxylate;methyl 4-methoxy-1-(3,5,6-trifluoro-2-pyridinyl)piperidine-4-carboxylate;2,3,5,6-tetrafluoropyridine;2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carbonitrile;dihydrochloride is sourced from PubChem (CID 163493147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).