tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate

C18H24N2O3 — CID 176821528

IUPACtert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)Cc1ncccc12
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-9-6-18(7-10-20)12-13(21)11-15-14(18)5-4-8-19-15/h4-5,8H,6-7,9-12H2,1-3H3
InChIKeyHXYZMAJPANLIOQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds

About tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate

tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate (PubChem CID 176821528) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
PubChem CID176821528
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)Cc1ncccc12
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-9-6-18(7-10-20)12-13(21)11-15-14(18)5-4-8-19-15/h4-5,8H,6-7,9-12H2,1-3H3
InChIKeyHXYZMAJPANLIOQ-UHFFFAOYSA-N
XLogP2.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-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 spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
CID 178078018
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 155385272
tert-butyl 3-oxospiro[furo[2,3-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 142434085
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 155388346
tert-butyl 8,10-dioxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 8,10-dioxo-9-(phenyl-λ3-iodanylidene)-3-azaspiro[5.5]undecane-3-carboxylate
CID 167591587
tert-butyl (5R)-5-[[(R)-tert-butylsulfinyl]amino]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146482780
tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate
CID 70343549
tert-butyl 3-fluoro-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146485823

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate (CID 176821528) is tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)Cc1ncccc12.
What is the InChIKey of tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate?
The InChIKey is HXYZMAJPANLIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-9-6-18(7-10-20)12-13(21)11-15-14(18)5-4-8-19-15/h4-5,8H,6-7,9-12H2,1-3H3.
What are the key properties of tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate?
tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 176821528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).