tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C22H33N3O3 — CID 46853880

IUPACtert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1
InChIInChI=1S/C22H33N3O3/c1-22(2,3)28-21(26)25-14-11-19-16(15-25)7-8-20(23-19)27-18-9-12-24(13-10-18)17-5-4-6-17/h7-8,17-18H,4-6,9-15H2,1-3H3
InChIKeyVYFOFWORXSXTKH-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.77
Rot. Bonds3

About tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 46853880) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID46853880
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Nametert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1
InChIInChI=1S/C22H33N3O3/c1-22(2,3)28-21(26)25-14-11-19-16(15-25)7-8-20(23-19)27-18-9-12-24(13-10-18)17-5-4-6-17/h7-8,17-18H,4-6,9-15H2,1-3H3
InChIKeyVYFOFWORXSXTKH-UHFFFAOYSA-N
XLogP3.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate with MolForge

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Related Compounds

1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone
CID 46184138
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone
CID 46183661
2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 66885650
tert-butyl 2-(hydroxymethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 118681345
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86767357
tert-butyl 2-(trifluoromethylsulfonyloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxylate
CID 58006403
tert-butyl 2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106267
(E)-but-2-enedioic acid;2-(1-cyclobutylpiperidin-4-yl)oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194083
tert-butyl 4-[6-(2-cyclopentylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperidine-1-carboxylate
CID 170947691
2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194751
tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 46853880) is tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1.
What is the InChIKey of tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is VYFOFWORXSXTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-22(2,3)28-21(26)25-14-11-19-16(15-25)7-8-20(23-19)27-18-9-12-24(13-10-18)17-5-4-6-17/h7-8,17-18H,4-6,9-15H2,1-3H3.
What are the key properties of tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 46853880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).