tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate

C27H35N3O6 — CID 177017390

IUPACtert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
SMILESCOCC1(C)CN(C(=O)OC(C)(C)C)CCC1(O)c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C27H35N3O6/c1-25(2,3)36-24(33)30-11-10-27(34,26(4,15-30)16-35-5)19-6-8-21-17(13-19)12-18(14-28-21)20-7-9-22(31)29-23(20)32/h6,8,12-14,20,34H,7,9-11,15-16H2,1-5H3,(H,29,31,32)
InChIKeyJOCSUUSARWPQAU-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.24
Rot. Bonds4

About tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate (PubChem CID 177017390) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
PubChem CID177017390
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
SMILESCOCC1(C)CN(C(=O)OC(C)(C)C)CCC1(O)c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C27H35N3O6/c1-25(2,3)36-24(33)30-11-10-27(34,26(4,15-30)16-35-5)19-6-8-21-17(13-19)12-18(14-28-21)20-7-9-22(31)29-23(20)32/h6,8,12-14,20,34H,7,9-11,15-16H2,1-5H3,(H,29,31,32)
InChIKeyJOCSUUSARWPQAU-UHFFFAOYSA-N
XLogP3.24
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016434
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 177016082
3-[6-[3-ethyl-4-hydroxy-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016268
3-[6-(1-ethyl-4-hydroxy-3,3-dipropylpiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione
CID 177016735
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-8-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017144
(3R)-3-[6-[(3R,4R)-3-fluoro-4-hydroxy-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016682
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017465
3-[6-[2-acetyl-6-hydroxy-9-[[4-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decan-6-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017333
3-[6-[8-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octan-8-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017213
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220
3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
CID 177016168
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate (CID 177017390) is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate is COCC1(C)CN(C(=O)OC(C)(C)C)CCC1(O)c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1.
What is the InChIKey of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
The InChIKey is JOCSUUSARWPQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-25(2,3)36-24(33)30-11-10-27(34,26(4,15-30)16-35-5)19-6-8-21-17(13-19)12-18(14-28-21)20-7-9-22(31)29-23(20)32/h6,8,12-14,20,34H,7,9-11,15-16H2,1-5H3,(H,29,31,32).
What are the key properties of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 177017390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).