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

C19H25FN2O4 — CID 57458012

IUPACtert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)NC2Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c1-18(2,3)26-17(24)22-10-8-19(9-11-22)15(21-16(23)25-19)12-13-4-6-14(20)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,21,23)
InChIKeyBEIIJRXJULVREO-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.25
Rot. Bonds2

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

tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 57458012) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID57458012
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nametert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)NC2Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c1-18(2,3)26-17(24)22-10-8-19(9-11-22)15(21-16(23)25-19)12-13-4-6-14(20)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,21,23)
InChIKeyBEIIJRXJULVREO-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 57458012) is tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)NC2Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is BEIIJRXJULVREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-18(2,3)26-17(24)22-10-8-19(9-11-22)15(21-16(23)25-19)12-13-4-6-14(20)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 4-[(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 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 57458012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).