5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]

C25H33N3O5S — CID 86701208

About 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]

5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine] (PubChem CID 86701208) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol.

Molecular Properties

• Compound Name: 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]
• PubChem CID: 86701208
• Molecular Formula: C25H33N3O5S
• Molecular Weight: 487.62 g/mol
• Exact Mass: 487.21
• IUPAC Name: —
• SMILES: CC1(OC(=O)N2CCC3(CC2)CC2(Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O2)C3)CC1
• InChI: InChI=1S/C25H33N3O5S/c1-23(5-6-23)33-22(29)27-11-7-24(8-12-27)16-25(17-24)14-19-13-20(26-15-21(19)32-25)18-3-9-28(10-4-18)34(2,30)31/h3,13,15H,4-12,14,16-17H2,1-2H3
• InChIKey: PPGAKRWCABNOMO-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 89.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.62
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]?

The IUPAC name of 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine] (CID 86701208) is not available.

What is the SMILES notation for 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]?

The canonical SMILES for 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine] is CC1(OC(=O)N2CCC3(CC2)CC2(Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O2)C3)CC1.

What is the InChIKey of 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]?

The InChIKey is PPGAKRWCABNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-23(5-6-23)33-22(29)27-11-7-24(8-12-27)16-25(17-24)14-19-13-20(26-15-21(19)32-25)18-3-9-28(10-4-18)34(2,30)31/h3,13,15H,4-12,14,16-17H2,1-2H3.

What are the key properties of 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine]?

5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine] has a molecular weight of 487.62 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1''-(1-methyl-cyclopropyloxycarbonyl)-dispiro[2,3-dihydrofuro[2,3-c]pyridine-2,1'-cyclobutane-3',4''-piperidine] is sourced from PubChem (CID 86701208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).