tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate

C26H37N5O5 — CID 178108233

IUPACtert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)Cn1c2c(c(=O)c3nc(N(C)C)cnc31)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2C
InChIInChI=1S/C26H37N5O5/c1-8-35-18(32)15-31-21-16(2)13-26(9-11-30(12-10-26)24(34)36-25(3,4)5)19(21)22(33)20-23(31)27-14-17(28-20)29(6)7/h14,16H,8-13,15H2,1-7H3
InChIKeyHCBDDKFCWWJHSW-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.20
Rot. Bonds4

About tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate

tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate (PubChem CID 178108233) has the molecular formula C26H37N5O5 and a molecular weight of 499.61 g/mol. Its IUPAC name is tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate
PubChem CID178108233
Molecular FormulaC26H37N5O5
Molecular Weight499.61 g/mol
Exact Mass499.28
IUPAC Nametert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)Cn1c2c(c(=O)c3nc(N(C)C)cnc31)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2C
InChIInChI=1S/C26H37N5O5/c1-8-35-18(32)15-31-21-16(2)13-26(9-11-30(12-10-26)24(34)36-25(3,4)5)19(21)22(33)20-23(31)27-14-17(28-20)29(6)7/h14,16H,8-13,15H2,1-7H3
InChIKeyHCBDDKFCWWJHSW-UHFFFAOYSA-N
XLogP3.20
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[11-(dimethylamino)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-2-yl]acetate
CID 178108275
tert-butyl 2-[2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl]-5-(2-methoxy-4-pyridinyl)-12-methyl-8-oxospiro[2,4,5,6-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-triene-10,4'-piperidine]-1'-carboxylate
CID 178108234
tert-butyl 5-bromo-8-(2-ethoxy-2-oxoethyl)-2-oxospiro[3,4,6,8-tetrazatetracyclo[7.4.0.03,7.010,12]trideca-1(9),4,6-triene-13,4'-piperidine]-1'-carboxylate
CID 177161666
2-O,9-O-ditert-butyl 4-O-ethyl 5-oxo-2,9-diazaspiro[5.5]undecane-2,4,9-tricarboxylate
CID 154730255
tert-butyl (1R)-1-(2-ethoxy-2-oxoethyl)-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 125248067
4-(2-ethoxy-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxoazepane-4-carboxylic acid
CID 154240158
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-[[5-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 90708061
tert-butyl 4-(4-ethoxycarbonylpyrazol-1-yl)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 155194335
tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 165456985
tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 131664474
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate (CID 178108233) is tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate is CCOC(=O)Cn1c2c(c(=O)c3nc(N(C)C)cnc31)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2C.
What is the InChIKey of tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate?
The InChIKey is HCBDDKFCWWJHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O5/c1-8-35-18(32)15-31-21-16(2)13-26(9-11-30(12-10-26)24(34)36-25(3,4)5)19(21)22(33)20-23(31)27-14-17(28-20)29(6)7/h14,16H,8-13,15H2,1-7H3.
What are the key properties of tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate?
tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate has a molecular weight of 499.61 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 11-(dimethylamino)-2-(2-ethoxy-2-oxoethyl)-4-methyl-8-oxospiro[2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraene-6,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).