tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane

C23H33N3O4 — CID 170979336

IUPACtert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC2(C1)CN(c1cccc(C3CCC(=O)NC3=O)c1)C2
InChIInChI=1S/C21H27N3O4.C2H6/c1-20(2,3)28-19(27)24-12-21(13-24)10-23(11-21)15-6-4-5-14(9-15)16-7-8-17(25)22-18(16)26;1-2/h4-6,9,16H,7-8,10-13H2,1-3H3,(H,22,25,26);1-2H3
InChIKeyZBOKBFDTUWJVLD-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane

tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane (PubChem CID 170979336) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
PubChem CID170979336
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC2(C1)CN(c1cccc(C3CCC(=O)NC3=O)c1)C2
InChIInChI=1S/C21H27N3O4.C2H6/c1-20(2,3)28-19(27)24-12-21(13-24)10-23(11-21)15-6-4-5-14(9-15)16-7-8-17(25)22-18(16)26;1-2/h4-6,9,16H,7-8,10-13H2,1-3H3,(H,22,25,26);1-2H3
InChIKeyZBOKBFDTUWJVLD-UHFFFAOYSA-N
XLogP3.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178099304
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
tert-butyl 6-(3-bromophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170087679
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 178005256
tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 178005677
tert-butyl 4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3-methylazetidin-3-yl]piperazine-1-carboxylate
CID 177364649
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166553640
tert-butyl 7-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166113222
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
CID 171406919

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
The IUPAC name of tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane (CID 170979336) is tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane.
What is the SMILES notation for tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
The canonical SMILES for tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC2(C1)CN(c1cccc(C3CCC(=O)NC3=O)c1)C2.
What is the InChIKey of tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
The InChIKey is ZBOKBFDTUWJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.C2H6/c1-20(2,3)28-19(27)24-12-21(13-24)10-23(11-21)15-6-4-5-14(9-15)16-7-8-17(25)22-18(16)26;1-2/h4-6,9,16H,7-8,10-13H2,1-3H3,(H,22,25,26);1-2H3.
What are the key properties of tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane has a molecular weight of 415.53 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane is sourced from PubChem (CID 170979336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).