tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

C19H25FN2O4 — CID 10248206

IUPACtert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C19H25FN2O4/c1-18(2,3)25-16(23)21-10-8-19(9-11-21)13-22(17(24)26-19)12-14-4-6-15(20)7-5-14/h4-7H,8-13H2,1-3H3
InChIKeyCVLMDZUVPQLDJV-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 10248206) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID10248206
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nametert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C19H25FN2O4/c1-18(2,3)25-16(23)21-10-8-19(9-11-21)13-22(17(24)26-19)12-14-4-6-15(20)7-5-14/h4-7H,8-13H2,1-3H3
InChIKeyCVLMDZUVPQLDJV-UHFFFAOYSA-N
XLogP3.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 10248206) is tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(F)cc1)C(=O)O2.
What is the InChIKey of tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is CVLMDZUVPQLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-18(2,3)25-16(23)21-10-8-19(9-11-21)13-22(17(24)26-19)12-14-4-6-15(20)7-5-14/h4-7H,8-13H2,1-3H3.
What are the key properties of tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 10248206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).