(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H21N3O3 — CID 97485283

About (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97485283) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97485283
• Molecular Formula: C18H21N3O3
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.16
• IUPAC Name: (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccoc1)C2
• InChI: InChI=1S/C18H21N3O3/c22-17-18(4-6-21(13-18)10-14-3-7-23-11-14)15(8-20-17)12-24-16-2-1-5-19-9-16/h1-3,5,7,9,11,15H,4,6,8,10,12-13H2,(H,20,22)/t15-,18-/m1/s1
• InChIKey: WARBJAWHQSGFHS-CRAIPNDOSA-N
• XLogP: 1.69
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97485283) is (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccoc1)C2.

What is the InChIKey of (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is WARBJAWHQSGFHS-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17-18(4-6-21(13-18)10-14-3-7-23-11-14)15(8-20-17)12-24-16-2-1-5-19-9-16/h1-3,5,7,9,11,15H,4,6,8,10,12-13H2,(H,20,22)/t15-,18-/m1/s1.

What are the key properties of (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 327.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97485283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).