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

C18H24N2O3 — CID 86318513

IUPACtert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(Cc3ccccc3NC2=O)C1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-6-9-18(12-20)11-13-7-4-5-8-14(13)19-15(18)21/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)/t18-/m0/s1
InChIKeyUNDQJEFTFVAITA-SFHVURJKSA-N
MW316.40 g/mol
LogP3.20
Rot. Bonds

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

tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate (PubChem CID 86318513) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
PubChem CID86318513
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(Cc3ccccc3NC2=O)C1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-6-9-18(12-20)11-13-7-4-5-8-14(13)19-15(18)21/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)/t18-/m0/s1
InChIKeyUNDQJEFTFVAITA-SFHVURJKSA-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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Related Compounds

tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
CID 86334393
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid
CID 141387537
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate
CID 124907780
tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate
CID 59732047

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate (CID 86318513) is tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]2(Cc3ccccc3NC2=O)C1.
What is the InChIKey of tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate?
The InChIKey is UNDQJEFTFVAITA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-6-9-18(12-20)11-13-7-4-5-8-14(13)19-15(18)21/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)/t18-/m0/s1.
What are the key properties of tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate?
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-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 (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate is sourced from PubChem (CID 86318513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).