3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane

C25H35N3O3 — CID 177016168

IUPAC3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
SMILESCC(C)C.CCN1CCC(O)(c2ccc3ncc(C4CCC(=O)NC4=O)cc3c2)CC1
InChIInChI=1S/C21H25N3O3.C4H10/c1-2-24-9-7-21(27,8-10-24)16-3-5-18-14(12-16)11-15(13-22-18)17-4-6-19(25)23-20(17)26;1-4(2)3/h3,5,11-13,17,27H,2,4,6-10H2,1H3,(H,23,25,26);4H,1-3H3
InChIKeyYGRHAISUEGRNFT-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.72
Rot. Bonds3

About 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane

3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane (PubChem CID 177016168) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane.

Molecular Properties

Compound Name3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
PubChem CID177016168
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
SMILESCC(C)C.CCN1CCC(O)(c2ccc3ncc(C4CCC(=O)NC4=O)cc3c2)CC1
InChIInChI=1S/C21H25N3O3.C4H10/c1-2-24-9-7-21(27,8-10-24)16-3-5-18-14(12-16)11-15(13-22-18)17-4-6-19(25)23-20(17)26;1-4(2)3/h3,5,11-13,17,27H,2,4,6-10H2,1H3,(H,23,25,26);4H,1-3H3
InChIKeyYGRHAISUEGRNFT-UHFFFAOYSA-N
XLogP3.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane with MolForge

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Related Compounds

3-[6-(1-ethyl-4-hydroxy-3,3-dipropylpiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione
CID 177016735
3-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016029
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
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-[4-hydroxy-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016170
(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
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)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 177017390
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-(2-ethyl-5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177017010
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-8-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017144
3-[5-fluoro-6-[(4R)-4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016984

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane?
The IUPAC name of 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane (CID 177016168) is 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane.
What is the SMILES notation for 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane?
The canonical SMILES for 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane is CC(C)C.CCN1CCC(O)(c2ccc3ncc(C4CCC(=O)NC4=O)cc3c2)CC1.
What is the InChIKey of 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane?
The InChIKey is YGRHAISUEGRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.C4H10/c1-2-24-9-7-21(27,8-10-24)16-3-5-18-14(12-16)11-15(13-22-18)17-4-6-19(25)23-20(17)26;1-4(2)3/h3,5,11-13,17,27H,2,4,6-10H2,1H3,(H,23,25,26);4H,1-3H3.
What are the key properties of 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane?
3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane has a molecular weight of 425.57 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane is sourced from PubChem (CID 177016168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).