tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

C24H35FN2O4 — CID 150768976

IUPACtert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)C(c2ccc(F)cc2O[C@@H]2CCOC2)C1
InChIInChI=1S/C24H35FN2O4/c1-23(2,3)31-22(28)27-12-9-24(7-10-26-11-8-24)20(15-27)19-5-4-17(25)14-21(19)30-18-6-13-29-16-18/h4-5,14,18,20,26H,6-13,15-16H2,1-3H3/t18-,20?/m1/s1
InChIKeyJZLMMKFCHQUWDA-QSVWIEALSA-N
MW434.55 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 150768976) has the molecular formula C24H35FN2O4 and a molecular weight of 434.55 g/mol. Its IUPAC name is tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID150768976
Molecular FormulaC24H35FN2O4
Molecular Weight434.55 g/mol
Exact Mass434.26
IUPAC Nametert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)C(c2ccc(F)cc2O[C@@H]2CCOC2)C1
InChIInChI=1S/C24H35FN2O4/c1-23(2,3)31-22(28)27-12-9-24(7-10-26-11-8-24)20(15-27)19-5-4-17(25)14-21(19)30-18-6-13-29-16-18/h4-5,14,18,20,26H,6-13,15-16H2,1-3H3/t18-,20?/m1/s1
InChIKeyJZLMMKFCHQUWDA-QSVWIEALSA-N
XLogP4.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate
CID 151194812
tert-butyl 5-(3,6-difluoro-2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 155894943
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428
tert-butyl 5-(2-chloro-5-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 157457027
5-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-9-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
CID 147999552
tert-butyl 3-(4-fluoro-2-nitrophenoxy)pyrrolidine-1-carboxylate
CID 75993955
tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 67122794
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623
tert-butyl (3R)-3-(2-piperazin-1-ylphenoxy)pyrrolidine-1-carboxylate
CID 69417826
tert-butyl (3S)-3-(2-piperazin-1-ylphenoxy)pyrrolidine-1-carboxylate
CID 69417508
9-benzyl-5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 149423266
tert-butyl 5-(4-fluoro-2-methylphenyl)-2-oxo-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151627135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 150768976) is tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCNCC2)C(c2ccc(F)cc2O[C@@H]2CCOC2)C1.
What is the InChIKey of tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is JZLMMKFCHQUWDA-QSVWIEALSA-N. The full InChI is InChI=1S/C24H35FN2O4/c1-23(2,3)31-22(28)27-12-9-24(7-10-26-11-8-24)20(15-27)19-5-4-17(25)14-21(19)30-18-6-13-29-16-18/h4-5,14,18,20,26H,6-13,15-16H2,1-3H3/t18-,20?/m1/s1.
What are the key properties of tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 434.55 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 150768976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).