tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate

C25H36N2O5 — CID 25012754

IUPACtert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate
SMILESCOc1ccc(C2=NOC3(CCCC3)C2)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H36N2O5/c1-24(2,3)31-23(28)27-13-9-18(10-14-27)17-30-22-15-19(7-8-21(22)29-4)20-16-25(32-26-20)11-5-6-12-25/h7-8,15,18H,5-6,9-14,16-17H2,1-4H3
InChIKeyWXUOZSIDUDGDEG-UHFFFAOYSA-N
MW444.57 g/mol
LogP5.16
Rot. Bonds5

About tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 25012754) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate
PubChem CID25012754
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Nametert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate
SMILESCOc1ccc(C2=NOC3(CCCC3)C2)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H36N2O5/c1-24(2,3)31-23(28)27-13-9-18(10-14-27)17-30-22-15-19(7-8-21(22)29-4)20-16-25(32-26-20)11-5-6-12-25/h7-8,15,18H,5-6,9-14,16-17H2,1-4H3
InChIKeyWXUOZSIDUDGDEG-UHFFFAOYSA-N
XLogP5.16
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[2-methoxy-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)phenoxy]propyl N-tert-butylcarbamate
CID 25012597
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
tert-butyl 3-(1-cyclopentyl-3-ethylindazol-6-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate
CID 12002607
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 69051857
tert-butyl 4-[[2-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24993711
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135
tert-butyl 4-[(4-fluoro-2-pyrrolidin-1-ylphenoxy)methyl]piperidine-1-carboxylate
CID 168514807
tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate
CID 154605153
tert-butyl 4-[[2-chloro-4-(3,3-dioxo-1,3λ6-benzoxathiol-6-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 142766776
tert-butyl 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 25103232
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate (CID 25012754) is tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate is COc1ccc(C2=NOC3(CCCC3)C2)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is WXUOZSIDUDGDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-24(2,3)31-23(28)27-13-9-18(10-14-27)17-30-22-15-19(7-8-21(22)29-4)20-16-25(32-26-20)11-5-6-12-25/h7-8,15,18H,5-6,9-14,16-17H2,1-4H3.
What are the key properties of tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 444.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 25012754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).