9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one

C19H28F3N3O2 — CID 170592042

About 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one

9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592042) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

• Compound Name: 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
• PubChem CID: 170592042
• Molecular Formula: C19H28F3N3O2
• Molecular Weight: 387.45 g/mol
• Exact Mass: 387.21
• IUPAC Name: 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
• SMILES: CC(C)N1C(=O)C2(CCCN(C(=O)C3CCCC3)C2)N=C1CCC(F)(F)F
• InChI: InChI=1S/C19H28F3N3O2/c1-13(2)25-15(8-10-19(20,21)22)23-18(17(25)27)9-5-11-24(12-18)16(26)14-6-3-4-7-14/h13-14H,3-12H2,1-2H3
• InChIKey: UVIXKZQNOJSCRI-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 52.98 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.45
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?

The IUPAC name of 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 170592042) is 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

What is the SMILES notation for 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?

The canonical SMILES for 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CC(C)N1C(=O)C2(CCCN(C(=O)C3CCCC3)C2)N=C1CCC(F)(F)F.

What is the InChIKey of 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?

The InChIKey is UVIXKZQNOJSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-13(2)25-15(8-10-19(20,21)22)23-18(17(25)27)9-5-11-24(12-18)16(26)14-6-3-4-7-14/h13-14H,3-12H2,1-2H3.

What are the key properties of 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?

9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 387.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).