tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate

C18H24N2O3 — CID 56965666

IUPACtert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-8-18(9-11-20)12-13-6-4-5-7-14(13)19-15(18)21/h4-7H,8-12H2,1-3H3,(H,19,21)
InChIKeyIMTSIRGIMYGZCV-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.20
Rot. Bonds

About tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate

tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate (PubChem CID 56965666) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate
PubChem CID56965666
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-8-18(9-11-20)12-13-6-4-5-7-14(13)19-15(18)21/h4-7H,8-12H2,1-3H3,(H,19,21)
InChIKeyIMTSIRGIMYGZCV-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate (CID 56965666) is tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O.
What is the InChIKey of tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate?
The InChIKey is IMTSIRGIMYGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-8-18(9-11-20)12-13-6-4-5-7-14(13)19-15(18)21/h4-7H,8-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate?
tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 56965666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).