1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide

C22H25N3O4 — CID 49360567

About 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 49360567) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 49360567
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cccc(CN2CCCCC2=O)c1)C1CC(=O)N(Cc2ccco2)C1
• InChI: InChI=1S/C22H25N3O4/c26-20-8-1-2-9-24(20)13-16-5-3-6-18(11-16)23-22(28)17-12-21(27)25(14-17)15-19-7-4-10-29-19/h3-7,10-11,17H,1-2,8-9,12-15H2,(H,23,28)
• InChIKey: WQXVUENGEBMHJM-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide (CID 49360567) is 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(CN2CCCCC2=O)c1)C1CC(=O)N(Cc2ccco2)C1.

What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

The InChIKey is WQXVUENGEBMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20-8-1-2-9-24(20)13-16-5-3-6-18(11-16)23-22(28)17-12-21(27)25(14-17)15-19-7-4-10-29-19/h3-7,10-11,17H,1-2,8-9,12-15H2,(H,23,28).

What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 49360567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).