tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate

C17H23ClN2O3 — CID 146404981

IUPACtert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncccc2Cl)CC12CC2
InChIInChI=1S/C17H23ClN2O3/c1-16(2,3)23-15(21)20-10-6-12(11-17(20)7-8-17)22-14-13(18)5-4-9-19-14/h4-5,9,12H,6-8,10-11H2,1-3H3
InChIKeyFDYBTOOAGWAJIX-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 146404981) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID146404981
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Nametert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncccc2Cl)CC12CC2
InChIInChI=1S/C17H23ClN2O3/c1-16(2,3)23-15(21)20-10-6-12(11-17(20)7-8-17)22-14-13(18)5-4-9-19-14/h4-5,9,12H,6-8,10-11H2,1-3H3
InChIKeyFDYBTOOAGWAJIX-UHFFFAOYSA-N
XLogP4.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3,3-dimethylpyrrolidine-1-carboxylate;3-chloro-2-methoxypyridine
CID 156848103
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
(2S,4R)-4-[(3-bromo-2-pyridinyl)oxy]-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 68587928
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
tert-butyl 6-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-1-azaspiro[3.3]heptane-1-carboxylate
CID 90155867
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate (CID 146404981) is tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ncccc2Cl)CC12CC2.
What is the InChIKey of tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is FDYBTOOAGWAJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-16(2,3)23-15(21)20-10-6-12(11-17(20)7-8-17)22-14-13(18)5-4-9-19-14/h4-5,9,12H,6-8,10-11H2,1-3H3.
What are the key properties of tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 338.84 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 146404981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).