2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate

C19H27N3O5 — CID 90068547

IUPAC2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
SMILESCOc1ccc(OC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1
InChIInChI=1S/C19H27N3O5/c1-18(2,3)27-17(24)22-12-19(13-22)7-9-21(10-8-19)16(23)26-15-6-5-14(25-4)11-20-15/h5-6,11H,7-10,12-13H2,1-4H3
InChIKeyVIIOISOABXEMAI-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.92
Rot. Bonds2

About 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate

2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate (PubChem CID 90068547) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
PubChem CID90068547
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
SMILESCOc1ccc(OC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1
InChIInChI=1S/C19H27N3O5/c1-18(2,3)27-17(24)22-12-19(13-22)7-9-21(10-8-19)16(23)26-15-6-5-14(25-4)11-20-15/h5-6,11H,7-10,12-13H2,1-4H3
InChIKeyVIIOISOABXEMAI-UHFFFAOYSA-N
XLogP2.92
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate with MolForge

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Related Compounds

tert-butyl 7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 58438449
tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 162725796
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 6-[(4-methoxyphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172639817
tert-butyl 4-[(5-methoxy-2-pyridinyl)methyl]-4-(propan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 162725590
CID 89265211
CID 89265211
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 3-(4-methoxyphenyl)-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950588
1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate
CID 175395425

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate (CID 90068547) is 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate is COc1ccc(OC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1.
What is the InChIKey of 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate?
The InChIKey is VIIOISOABXEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-18(2,3)27-17(24)22-12-19(13-22)7-9-21(10-8-19)16(23)26-15-6-5-14(25-4)11-20-15/h5-6,11H,7-10,12-13H2,1-4H3.
What are the key properties of 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate?
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate is sourced from PubChem (CID 90068547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).