methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate

C24H35N3O5S — CID 154877579

About methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate

methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate (PubChem CID 154877579) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate
• PubChem CID: 154877579
• Molecular Formula: C24H35N3O5S
• Molecular Weight: 477.63 g/mol
• Exact Mass: 477.23
• IUPAC Name: methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate
• SMILES: CCCC(NC(=O)N1CCC(O)(C2(C(=O)OC)CCC2)CC1)C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C24H35N3O5S/c1-3-5-18(20(28)27-12-6-19-17(16-27)7-15-33-19)25-22(30)26-13-10-24(31,11-14-26)23(8-4-9-23)21(29)32-2/h7,15,18,31H,3-6,8-14,16H2,1-2H3,(H,25,30)
• InChIKey: WPMZWFJVWSHDJN-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 99.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.63
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate?

The IUPAC name of methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate (CID 154877579) is methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate.

What is the SMILES notation for methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate?

The canonical SMILES for methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate is CCCC(NC(=O)N1CCC(O)(C2(C(=O)OC)CCC2)CC1)C(=O)N1CCc2sccc2C1.

What is the InChIKey of methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate?

The InChIKey is WPMZWFJVWSHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-3-5-18(20(28)27-12-6-19-17(16-27)7-15-33-19)25-22(30)26-13-10-24(31,11-14-26)23(8-4-9-23)21(29)32-2/h7,15,18,31H,3-6,8-14,16H2,1-2H3,(H,25,30).

What are the key properties of methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate?

methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate has a molecular weight of 477.63 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 154877579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).