tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate

C121H150N10O23S4 — CID 158981614

About tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate (PubChem CID 158981614) has the molecular formula C121H150N10O23S4 and a molecular weight of 2240.85 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate
• PubChem CID: 158981614
• Molecular Formula: C121H150N10O23S4
• Molecular Weight: 2240.85 g/mol
• Exact Mass: 2238.98
• IUPAC Name: tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)cnc3O2)CC1.CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)nnc3O2)CC1.CCC(=O)c1ccc(-c2ccc3c(c2)CC(C2CCN(C(=O)OC(C)C)CC2)O3)cc1.Cc1cc(S(C)(=O)=O)cnc1-c1ccc2c(c1)CC(C1CCN(C(=O)OC(C)C)CC1)O2.Cc1cc(S(C)=O)cnc1-c1ccc2c(c1)CC(C1CCN(C(=O)OC(C)C)CC1)O2
• InChI: InChI=1S/C26H31NO4.2C24H30N2O5S.C24H30N2O4S.C23H29N3O5S/c1-4-23(28)19-7-5-18(6-8-19)21-9-10-24-22(15-21)16-25(31-24)20-11-13-27(14-12-20)26(29)30-17(2)3;1-24(2,3)31-23(27)26-11-9-17(10-12-26)21-14-18-13-19(15-25-22(18)30-21)16-5-7-20(8-6-16)32(4,28)29;1-15(2)30-24(27)26-9-7-17(8-10-26)22-13-19-12-18(5-6-21(19)31-22)23-16(3)11-20(14-25-23)32(4,28)29;1-15(2)29-24(27)26-9-7-17(8-10-26)22-13-19-12-18(5-6-21(19)30-22)23-16(3)11-20(14-25-23)31(4)28;1-23(2,3)31-22(27)26-11-9-16(10-12-26)20-14-17-13-19(24-25-21(17)30-20)15-5-7-18(8-6-15)32(4,28)29/h5-10,15,17,20,25H,4,11-14,16H2,1-3H3;5-8,13,15,17,21H,9-12,14H2,1-4H3;5-6,11-12,14-15,17,22H,7-10,13H2,1-4H3;5-6,11-12,14-15,17,22H,7-10,13H2,1-4H3;5-8,13,16,20H,9-12,14H2,1-4H3
• InChIKey: JPBOHDIAMGRJLA-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 394.86 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.85
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate (CID 158981614) is tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)cnc3O2)CC1.CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)nnc3O2)CC1.CCC(=O)c1ccc(-c2ccc3c(c2)CC(C2CCN(C(=O)OC(C)C)CC2)O3)cc1.Cc1cc(S(C)(=O)=O)cnc1-c1ccc2c(c1)CC(C1CCN(C(=O)OC(C)C)CC1)O2.Cc1cc(S(C)=O)cnc1-c1ccc2c(c1)CC(C1CCN(C(=O)OC(C)C)CC1)O2.

What is the InChIKey of tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?

The InChIKey is JPBOHDIAMGRJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4.2C24H30N2O5S.C24H30N2O4S.C23H29N3O5S/c1-4-23(28)19-7-5-18(6-8-19)21-9-10-24-22(15-21)16-25(31-24)20-11-13-27(14-12-20)26(29)30-17(2)3;1-24(2,3)31-23(27)26-11-9-17(10-12-26)21-14-18-13-19(15-25-22(18)30-21)16-5-7-20(8-6-16)32(4,28)29;1-15(2)30-24(27)26-9-7-17(8-10-26)22-13-19-12-18(5-6-21(19)31-22)23-16(3)11-20(14-25-23)32(4,28)29;1-15(2)29-24(27)26-9-7-17(8-10-26)22-13-19-12-18(5-6-21(19)30-22)23-16(3)11-20(14-25-23)31(4)28;1-23(2,3)31-22(27)26-11-9-16(10-12-26)20-14-17-13-19(24-25-21(17)30-20)15-5-7-18(8-6-15)32(4,28)29/h5-10,15,17,20,25H,4,11-14,16H2,1-3H3;5-8,13,15,17,21H,9-12,14H2,1-4H3;5-6,11-12,14-15,17,22H,7-10,13H2,1-4H3;5-6,11-12,14-15,17,22H,7-10,13H2,1-4H3;5-8,13,16,20H,9-12,14H2,1-4H3.

What are the key properties of tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?

tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate has a molecular weight of 2240.85 g/mol, XLogP of 21.48, 19 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-methylsulfonylphenyl)-5,6-dihydrofuro[2,3-c]pyridazin-6-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfinyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(3-methyl-5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate;propan-2-yl 4-[5-(4-propanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158981614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).