tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

C18H27N3O3 — CID 135301753

IUPACtert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCOc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2)ccn1
InChIInChI=1S/C18H27N3O3/c1-17(2,3)24-16(22)21-10-7-18(13-21)6-9-20(12-18)14-5-8-19-15(11-14)23-4/h5,8,11H,6-7,9-10,12-13H2,1-4H3
InChIKeyJDQHUTGYMKFBGT-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 135301753) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID135301753
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCOc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2)ccn1
InChIInChI=1S/C18H27N3O3/c1-17(2,3)24-16(22)21-10-7-18(13-21)6-9-20(12-18)14-5-8-19-15(11-14)23-4/h5,8,11H,6-7,9-10,12-13H2,1-4H3
InChIKeyJDQHUTGYMKFBGT-UHFFFAOYSA-N
XLogP2.93
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate with MolForge

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Related Compounds

CID 160639767
CID 160639767
tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041209
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate
CID 118872027
tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 170986544
tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175704989
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 99713936
tert-butyl 7-[6-(methylcarbamoyl)-3-pyridinyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 176613438
CID 89265211
CID 89265211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 135301753) is tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate is COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2)ccn1.
What is the InChIKey of tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is JDQHUTGYMKFBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-17(2,3)24-16(22)21-10-7-18(13-21)6-9-20(12-18)14-5-8-19-15(11-14)23-4/h5,8,11H,6-7,9-10,12-13H2,1-4H3.
What are the key properties of tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 135301753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).