(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide

C18H28N4O3 — CID 99637404

About (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide

(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 99637404) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 99637404
• Molecular Formula: C18H28N4O3
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.22
• IUPAC Name: (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
• SMILES: COCc1ccc([C@H]2CCCN2C(=O)NC[C@@H]2CN3CCN2CC3)o1
• InChI: InChI=1S/C18H28N4O3/c1-24-13-15-4-5-17(25-15)16-3-2-6-22(16)18(23)19-11-14-12-20-7-9-21(14)10-8-20/h4-5,14,16H,2-3,6-13H2,1H3,(H,19,23)/t14-,16-/m1/s1
• InChIKey: YDKBKPOFULKRLS-GDBMZVCRSA-N
• XLogP: 1.27
• TPSA: 61.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?

The IUPAC name of (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide (CID 99637404) is (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?

The canonical SMILES for (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide is COCc1ccc([C@H]2CCCN2C(=O)NC[C@@H]2CN3CCN2CC3)o1.

What is the InChIKey of (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?

The InChIKey is YDKBKPOFULKRLS-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-13-15-4-5-17(25-15)16-3-2-6-22(16)18(23)19-11-14-12-20-7-9-21(14)10-8-20/h4-5,14,16H,2-3,6-13H2,1H3,(H,19,23)/t14-,16-/m1/s1.

What are the key properties of (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?

(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99637404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).