tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide

C24H38N2O4 — CID 143786118

IUPACtert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide
SMILESCC(C)(C)OC(=O)N1CCC2(CCCc3ccccc32)CC1.COCCNC(C)=O
InChIInChI=1S/C19H27NO2.C5H11NO2/c1-18(2,3)22-17(21)20-13-11-19(12-14-20)10-6-8-15-7-4-5-9-16(15)19;1-5(7)6-3-4-8-2/h4-5,7,9H,6,8,10-14H2,1-3H3;3-4H2,1-2H3,(H,6,7)
InChIKeyZDJOYFZAAOXGQZ-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.06
Rot. Bonds3

About tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide

tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide (PubChem CID 143786118) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Nametert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide
PubChem CID143786118
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Nametert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide
SMILESCC(C)(C)OC(=O)N1CCC2(CCCc3ccccc32)CC1.COCCNC(C)=O
InChIInChI=1S/C19H27NO2.C5H11NO2/c1-18(2,3)22-17(21)20-13-11-19(12-14-20)10-6-8-15-7-4-5-9-16(15)19;1-5(7)6-3-4-8-2/h4-5,7,9H,6,8,10-14H2,1-3H3;3-4H2,1-2H3,(H,6,7)
InChIKeyZDJOYFZAAOXGQZ-UHFFFAOYSA-N
XLogP4.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide 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[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate
CID 10001074
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
tert-butyl 6-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 139321101
tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
CID 67769577
1-O'-tert-butyl 1-O-methyl spiro[3H-naphthalene-4,4'-piperidine]-1,1'-dicarboxylate
CID 59600625
[2-[1-(methoxymethyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decan-2-yl]phenyl]-oxoazanium
CID 156744804
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl 5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-propan-2-ylacetamide
CID 142950902
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
CID 102390460
tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide?
The IUPAC name of tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide (CID 143786118) is tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide.
What is the SMILES notation for tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide?
The canonical SMILES for tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide is CC(C)(C)OC(=O)N1CCC2(CCCc3ccccc32)CC1.COCCNC(C)=O.
What is the InChIKey of tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide?
The InChIKey is ZDJOYFZAAOXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2.C5H11NO2/c1-18(2,3)22-17(21)20-13-11-19(12-14-20)10-6-8-15-7-4-5-9-16(15)19;1-5(7)6-3-4-8-2/h4-5,7,9H,6,8,10-14H2,1-3H3;3-4H2,1-2H3,(H,6,7).
What are the key properties of tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide?
tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide has a molecular weight of 418.58 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 143786118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).