3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione

C22H27N3O4 — CID 177016434

IUPAC3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
SMILESCOCC1(C)CNCCC1(O)c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C22H27N3O4/c1-21(13-29-2)12-23-8-7-22(21,28)16-3-5-18-14(10-16)9-15(11-24-18)17-4-6-19(26)25-20(17)27/h3,5,9-11,17,23,28H,4,6-8,12-13H2,1-2H3,(H,25,26,27)
InChIKeyGKYBTAMPTWMCIG-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.59
Rot. Bonds4

About 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione

3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione (PubChem CID 177016434) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
PubChem CID177016434
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
SMILESCOCC1(C)CNCCC1(O)c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C22H27N3O4/c1-21(13-29-2)12-23-8-7-22(21,28)16-3-5-18-14(10-16)9-15(11-24-18)17-4-6-19(26)25-20(17)27/h3,5,9-11,17,23,28H,4,6-8,12-13H2,1-2H3,(H,25,26,27)
InChIKeyGKYBTAMPTWMCIG-UHFFFAOYSA-N
XLogP1.59
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 177017390
3-[6-(1-ethyl-4-hydroxy-3,3-dipropylpiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione
CID 177016735
3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
CID 177016168
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
(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-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
CID 177017584
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-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016029
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-[4-hydroxy-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016170
4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-3-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-hydroxyborinane-1-carbonitrile
CID 177017586
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-8-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017144

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione (CID 177016434) is 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione is COCC1(C)CNCCC1(O)c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1.
What is the InChIKey of 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione?
The InChIKey is GKYBTAMPTWMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-21(13-29-2)12-23-8-7-22(21,28)16-3-5-18-14(10-16)9-15(11-24-18)17-4-6-19(26)25-20(17)27/h3,5,9-11,17,23,28H,4,6-8,12-13H2,1-2H3,(H,25,26,27).
What are the key properties of 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione?
3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione has a molecular weight of 397.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 177016434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).