tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate

C23H30F2N2O6 — CID 91517612

IUPACtert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(C3=CC4(CCOC4)ON3)ccc2OC(F)F)C1
InChIInChI=1S/C23H30F2N2O6/c1-22(2,3)32-21(28)27-9-4-5-16(13-27)30-19-11-15(6-7-18(19)31-20(24)25)17-12-23(33-26-17)8-10-29-14-23/h6-7,11-12,16,20,26H,4-5,8-10,13-14H2,1-3H3
InChIKeyMVKKLOAPZJTWMY-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate

tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate (PubChem CID 91517612) has the molecular formula C23H30F2N2O6 and a molecular weight of 468.50 g/mol. Its IUPAC name is tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate
PubChem CID91517612
Molecular FormulaC23H30F2N2O6
Molecular Weight468.50 g/mol
Exact Mass468.21
IUPAC Nametert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(C3=CC4(CCOC4)ON3)ccc2OC(F)F)C1
InChIInChI=1S/C23H30F2N2O6/c1-22(2,3)32-21(28)27-9-4-5-16(13-27)30-19-11-15(6-7-18(19)31-20(24)25)17-12-23(33-26-17)8-10-29-14-23/h6-7,11-12,16,20,26H,4-5,8-10,13-14H2,1-3H3
InChIKeyMVKKLOAPZJTWMY-UHFFFAOYSA-N
XLogP4.10
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 90970872
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428
tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462
tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
CID 168528418
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl 3-[2-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate
CID 140760830
tert-butyl 3-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91337093
tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 143514654
tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
CID 168526679
tert-butyl (3S)-3-(4-carbamoyl-2-nitrophenoxy)piperidine-1-carboxylate
CID 86635655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate (CID 91517612) is tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2cc(C3=CC4(CCOC4)ON3)ccc2OC(F)F)C1.
What is the InChIKey of tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate?
The InChIKey is MVKKLOAPZJTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O6/c1-22(2,3)32-21(28)27-9-4-5-16(13-27)30-19-11-15(6-7-18(19)31-20(24)25)17-12-23(33-26-17)8-10-29-14-23/h6-7,11-12,16,20,26H,4-5,8-10,13-14H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate?
tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate has a molecular weight of 468.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 91517612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).