tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate

C20H33N3O5 — CID 140704131

IUPACtert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate
SMILESCCOC(=O)C1(C)CCN(C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2C)CC1
InChIInChI=1S/C20H33N3O5/c1-7-26-16(24)19(6)8-10-22(11-9-19)15-14(2)20(28-21-15)12-23(13-20)17(25)27-18(3,4)5/h14H,7-13H2,1-6H3
InChIKeyGJHATXDNUQJXKV-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate

tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate (PubChem CID 140704131) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate
PubChem CID140704131
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Nametert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate
SMILESCCOC(=O)C1(C)CCN(C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2C)CC1
InChIInChI=1S/C20H33N3O5/c1-7-26-16(24)19(6)8-10-22(11-9-19)15-14(2)20(28-21-15)12-23(13-20)17(25)27-18(3,4)5/h14H,7-13H2,1-6H3
InChIKeyGJHATXDNUQJXKV-UHFFFAOYSA-N
XLogP2.62
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-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

1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 3-O-ethyl 3-methylpiperidine-1,3-dicarboxylate;tert-butyl 3-(methoxymethyl)-3-methylpiperidine-1-carboxylate;ethane
CID 144691608
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
CID 58993693
1-O-tert-butyl 3-O-ethyl 3-(1-aminocyclopropyl)azetidine-1,3-dicarboxylate
CID 59558418
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
1-O-tert-butyl 4-O-(3-methylbut-2-enyl) 4-methylpiperidine-1,4-dicarboxylate
CID 175346524
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
1-O-tert-butyl 4-O-ethyl 4-propan-2-ylpiperidine-1,4-dicarboxylate
CID 53393416
1-O-tert-butyl 4-O-ethyl 4-ethenylpiperidine-1,4-dicarboxylate
CID 118176170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate?
The IUPAC name of tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate (CID 140704131) is tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate?
The canonical SMILES for tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate is CCOC(=O)C1(C)CCN(C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2C)CC1.
What is the InChIKey of tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate?
The InChIKey is GJHATXDNUQJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-7-26-16(24)19(6)8-10-22(11-9-19)15-14(2)20(28-21-15)12-23(13-20)17(25)27-18(3,4)5/h14H,7-13H2,1-6H3.
What are the key properties of tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate?
tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate is sourced from PubChem (CID 140704131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).