tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate

C25H31N3O5 — CID 177017220

IUPACtert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCc1nc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)cc2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C25H31N3O5/c1-15-19(18-6-8-21(29)27-22(18)30)14-16-13-17(5-7-20(16)26-15)25(32)9-11-28(12-10-25)23(31)33-24(2,3)4/h5,7,13-14,18,32H,6,8-12H2,1-4H3,(H,27,29,30)
InChIKeyLVXUISOZQLKKOW-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 177017220) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
PubChem CID177017220
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCc1nc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)cc2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C25H31N3O5/c1-15-19(18-6-8-21(29)27-22(18)30)14-16-13-17(5-7-20(16)26-15)25(32)9-11-28(12-10-25)23(31)33-24(2,3)4/h5,7,13-14,18,32H,6,8-12H2,1-4H3,(H,27,29,30)
InChIKeyLVXUISOZQLKKOW-UHFFFAOYSA-N
XLogP3.28
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-8-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017144
tert-butyl 2-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinoline-6-carbonyl]amino]acetate
CID 171788885
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017465
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 177017390
3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
CID 177017584
[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
CID 175590062
tert-butyl 5-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methylquinolin-6-yl]-2-azaspiro[5.5]undec-4-ene-2-carboxylate
CID 177016110
3-[2-amino-6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177015909
3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
CID 177016168
3-(7-hydroxy-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 166151987
tert-butyl 4-(4-chloro-3-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123559362

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate (CID 177017220) is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate is Cc1nc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)cc2cc1C1CCC(=O)NC1=O.
What is the InChIKey of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is LVXUISOZQLKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-15-19(18-6-8-21(29)27-22(18)30)14-16-13-17(5-7-20(16)26-15)25(32)9-11-28(12-10-25)23(31)33-24(2,3)4/h5,7,13-14,18,32H,6,8-12H2,1-4H3,(H,27,29,30).
What are the key properties of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 177017220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).