tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate

C26H32F2N2O2 — CID 130404438

IUPACtert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C26H32F2N2O2/c1-25(2,3)32-24(31)29-15-12-26(13-16-29)14-17-30(18-26)23(19-4-8-21(27)9-5-19)20-6-10-22(28)11-7-20/h4-11,23H,12-18H2,1-3H3
InChIKeyUOKKHVCLCJGBMP-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.78
Rot. Bonds3

About tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 130404438) has the molecular formula C26H32F2N2O2 and a molecular weight of 442.55 g/mol. Its IUPAC name is tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID130404438
Molecular FormulaC26H32F2N2O2
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Nametert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C26H32F2N2O2/c1-25(2,3)32-24(31)29-15-12-26(13-16-29)14-17-30(18-26)23(19-4-8-21(27)9-5-19)20-6-10-22(28)11-7-20/h4-11,23H,12-18H2,1-3H3
InChIKeyUOKKHVCLCJGBMP-UHFFFAOYSA-N
XLogP5.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 2-[bis(4-fluorophenyl)methyl]-10-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118962923
tert-butyl 2-[3-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 118386250
tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]-4-isocyanopiperidine-1-carboxylate
CID 59367875
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 171985225
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
tert-butyl 2-benzhydryl-2,9-diazaspiro[3.6]decane-9-carboxylate
CID 170772009
tert-butyl 7-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
CID 66570818
tert-butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59367830
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 163385674
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961
tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 130404438) is tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is UOKKHVCLCJGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O2/c1-25(2,3)32-24(31)29-15-12-26(13-16-29)14-17-30(18-26)23(19-4-8-21(27)9-5-19)20-6-10-22(28)11-7-20/h4-11,23H,12-18H2,1-3H3.
What are the key properties of tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 442.55 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 130404438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).