2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)

C22H27F6N3O5 — CID 118746983

IUPAC2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(CC1CC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O.2C2HF3O2/c1-19-12-17(22)21(16-5-3-2-4-6-16)14-18(19)9-10-20(13-18)11-15-7-8-15;2*3-2(4,5)1(6)7/h2-6,15H,7-14H2,1H3;2*(H,6,7)
InChIKeyFKZONXPMGAZLSU-UHFFFAOYSA-N
MW527.46 g/mol
LogP3.09
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)

2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746983) has the molecular formula C22H27F6N3O5 and a molecular weight of 527.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746983
Molecular FormulaC22H27F6N3O5
Molecular Weight527.46 g/mol
Exact Mass527.19
IUPAC Name2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(CC1CC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O.2C2HF3O2/c1-19-12-17(22)21(16-5-3-2-4-6-16)14-18(19)9-10-20(13-18)11-15-7-8-15;2*3-2(4,5)1(6)7/h2-6,15H,7-14H2,1H3;2*(H,6,7)
InChIKeyFKZONXPMGAZLSU-UHFFFAOYSA-N
XLogP3.09
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) (CID 118746983) is 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) is CN1CC(=O)N(c2ccccc2)CC12CCN(CC1CC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is FKZONXPMGAZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.2C2HF3O2/c1-19-12-17(22)21(16-5-3-2-4-6-16)14-18(19)9-10-20(13-18)11-15-7-8-15;2*3-2(4,5)1(6)7/h2-6,15H,7-14H2,1H3;2*(H,6,7).
What are the key properties of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?
2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 527.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).