tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C20H26F2N2O3 — CID 171060067

IUPACtert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(Cc1cc(F)ccc1F)C2=O
InChIInChI=1S/C20H26F2N2O3/c1-19(2,3)27-18(26)23-9-6-20(7-10-23)8-11-24(17(20)25)13-14-12-15(21)4-5-16(14)22/h4-5,12H,6-11,13H2,1-3H3
InChIKeyURNGWMZBRSJFPF-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 171060067) has the molecular formula C20H26F2N2O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID171060067
Molecular FormulaC20H26F2N2O3
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Nametert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(Cc1cc(F)ccc1F)C2=O
InChIInChI=1S/C20H26F2N2O3/c1-19(2,3)27-18(26)23-9-6-20(7-10-23)8-11-24(17(20)25)13-14-12-15(21)4-5-16(14)22/h4-5,12H,6-11,13H2,1-3H3
InChIKeyURNGWMZBRSJFPF-UHFFFAOYSA-N
XLogP3.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
2,2-Dimethyl-1-[2-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 121446384
US10030020, Example 152
CID 132114588
US10781211, Example 255
CID 155921908
Tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate
CID 24747715
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24790641
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
tert-butyl (3aR,7aS)-1-benzyl-3a-methyl-4-oxo-3,5,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 118733447
2-Benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 58547509
2-Benzyl-8-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 117890825
2,8-Dibenzyl-2,8-diazaspiro[4.5]decan-1-one
CID 168271356
US10781211, Example 258
CID 155440959

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 171060067) is tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCN(Cc1cc(F)ccc1F)C2=O.
What is the InChIKey of tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is URNGWMZBRSJFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O3/c1-19(2,3)27-18(26)23-9-6-20(7-10-23)8-11-24(17(20)25)13-14-12-15(21)4-5-16(14)22/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,5-difluorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 171060067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).