8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C21H25FN2O4 — CID 70723113

About 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70723113) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 70723113
• Molecular Formula: C21H25FN2O4
• Molecular Weight: 388.44 g/mol
• Exact Mass: 388.18
• IUPAC Name: 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: O=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)Cc1ccc(F)cc1
• InChI: InChI=1S/C21H25FN2O4/c22-16-5-1-14(2-6-16)11-18(25)24-13-21(12-17(24)20(27)28)7-9-23(10-8-21)19(26)15-3-4-15/h1-2,5-6,15,17H,3-4,7-13H2,(H,27,28)
• InChIKey: YWNQVWJYKAIJMO-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 77.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.44
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70723113) is 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)Cc1ccc(F)cc1.

What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is YWNQVWJYKAIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c22-16-5-1-14(2-6-16)11-18(25)24-13-21(12-17(24)20(27)28)7-9-23(10-8-21)19(26)15-3-4-15/h1-2,5-6,15,17H,3-4,7-13H2,(H,27,28).

What are the key properties of 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 388.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70723113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).