9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C23H26FN3O2 — CID 95194454

IUPAC9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC[C@@H](C(=O)N1CCC2(CC1)NCCNC2=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-16(18-7-8-19(20(24)15-18)17-5-3-2-4-6-17)21(28)27-13-9-23(10-14-27)22(29)25-11-12-26-23/h2-8,15-16,26H,9-14H2,1H3,(H,25,29)/t16-/m1/s1
InChIKeyAJMYOGOYMAADTG-MRXNPFEDSA-N
MW395.48 g/mol
LogP2.68
Rot. Bonds3

About 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one

9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 95194454) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID95194454
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC[C@@H](C(=O)N1CCC2(CC1)NCCNC2=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-16(18-7-8-19(20(24)15-18)17-5-3-2-4-6-17)21(28)27-13-9-23(10-14-27)22(29)25-11-12-26-23/h2-8,15-16,26H,9-14H2,1H3,(H,25,29)/t16-/m1/s1
InChIKeyAJMYOGOYMAADTG-MRXNPFEDSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 95194454) is 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one is C[C@@H](C(=O)N1CCC2(CC1)NCCNC2=O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is AJMYOGOYMAADTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16(18-7-8-19(20(24)15-18)17-5-3-2-4-6-17)21(28)27-13-9-23(10-14-27)22(29)25-11-12-26-23/h2-8,15-16,26H,9-14H2,1H3,(H,25,29)/t16-/m1/s1.
What are the key properties of 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 395.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 95194454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).