tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate

C18H24N2O4 — CID 123144184

IUPACtert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate
SMILESCc1cnc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1C)OC2=O
InChIInChI=1S/C18H24N2O4/c1-11-8-13-14(19-9-11)15(21)23-18(13)6-7-20(10-12(18)2)16(22)24-17(3,4)5/h8-9,12H,6-7,10H2,1-5H3
InChIKeyXNXLTQYRLDZBDY-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.03
Rot. Bonds

About tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate

tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate (PubChem CID 123144184) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate
PubChem CID123144184
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate
SMILESCc1cnc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1C)OC2=O
InChIInChI=1S/C18H24N2O4/c1-11-8-13-14(19-9-11)15(21)23-18(13)6-7-20(10-12(18)2)16(22)24-17(3,4)5/h8-9,12H,6-7,10H2,1-5H3
InChIKeyXNXLTQYRLDZBDY-UHFFFAOYSA-N
XLogP3.03
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2,3'-dimethyl-5-oxospiro[furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate
CID 123652864
tert-butyl 3'-iodo-3-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate
CID 118174395
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl (1R,6S)-6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746123
tert-butyl (1R,6R)-6-pyridin-3-yl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124848069
tert-butyl 4-(5-chloro-2-fluoro-3-pyridinyl)-4-fluoro-3-methylpiperidine-1-carboxylate
CID 171560605
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 155388346
tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829956
tert-butyl (1R,6S)-6-(4-chlorophenyl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124561978
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl (1R,6R)-6-(1-methylpyrrol-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 125455927

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate (CID 123144184) is tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate is Cc1cnc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1C)OC2=O.
What is the InChIKey of tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate?
The InChIKey is XNXLTQYRLDZBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-8-13-14(19-9-11)15(21)23-18(13)6-7-20(10-12(18)2)16(22)24-17(3,4)5/h8-9,12H,6-7,10H2,1-5H3.
What are the key properties of tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate?
tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3'-dimethyl-7-oxospiro[furo[3,4-b]pyridine-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 123144184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).