3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one

C37H43Cl2F3N4O3 — CID 10327528

About 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one

3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10327528) has the molecular formula C37H43Cl2F3N4O3 and a molecular weight of 719.68 g/mol. Its IUPAC name is 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 10327528
• Molecular Formula: C37H43Cl2F3N4O3
• Molecular Weight: 719.68 g/mol
• Exact Mass: 718.27
• IUPAC Name: 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: O=C(C1CCC1)N1CCC(CCCN2CCC3(CC2)C(=O)N(C(=O)C2CCC2)CN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1
• InChI: InChI=1S/C37H43Cl2F3N4O3/c38-30-12-11-27(22-31(30)39)35(14-20-44(23-35)32(47)25-5-1-6-25)13-4-17-43-18-15-36(16-19-43)34(49)45(33(48)26-7-2-8-26)24-46(36)29-10-3-9-28(21-29)37(40,41)42/h3,9-12,21-22,25-26H,1-2,4-8,13-20,23-24H2
• InChIKey: YTNAKFOLGAOUIX-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 64.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.68
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 10327528) is 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C(C1CCC1)N1CCC(CCCN2CCC3(CC2)C(=O)N(C(=O)C2CCC2)CN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.

What is the InChIKey of 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is YTNAKFOLGAOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43Cl2F3N4O3/c38-30-12-11-27(22-31(30)39)35(14-20-44(23-35)32(47)25-5-1-6-25)13-4-17-43-18-15-36(16-19-43)34(49)45(33(48)26-7-2-8-26)24-46(36)29-10-3-9-28(21-29)37(40,41)42/h3,9-12,21-22,25-26H,1-2,4-8,13-20,23-24H2.

What are the key properties of 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?

3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 719.68 g/mol, XLogP of 7.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutanecarbonyl)-8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10327528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).