(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H23FN2O4 — CID 26320634

About (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26320634) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 26320634
• Molecular Formula: C21H23FN2O4
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.16
• IUPAC Name: (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2=O)c1
• InChI: InChI=1S/C21H23FN2O4/c1-27-16-5-6-17(22)15(12-16)13-23-9-3-7-21(20(23)26)8-10-24(14-21)19(25)18-4-2-11-28-18/h2,4-6,11-12H,3,7-10,13-14H2,1H3/t21-/m0/s1
• InChIKey: PIABYDCOCCUHFU-NRFANRHFSA-N
• XLogP: 3.08
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 26320634) is (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2=O)c1.

What is the InChIKey of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is PIABYDCOCCUHFU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-16-5-6-17(22)15(12-16)13-23-9-3-7-21(20(23)26)8-10-24(14-21)19(25)18-4-2-11-28-18/h2,4-6,11-12H,3,7-10,13-14H2,1H3/t21-/m0/s1.

What are the key properties of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 386.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26320634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).