3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione

C25H31N3O3 — CID 177017584

IUPAC3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2ccc(C3(O)CCNCC34CCCCC4)cc2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C25H31N3O3/c1-16-20(19-6-8-22(29)28-23(19)30)14-17-13-18(5-7-21(17)27-16)25(31)11-12-26-15-24(25)9-3-2-4-10-24/h5,7,13-14,19,26,31H,2-4,6,8-12,15H2,1H3,(H,28,29,30)
InChIKeyOOHVGRHLIOGIIP-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.19
Rot. Bonds2

About 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione

3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione (PubChem CID 177017584) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
PubChem CID177017584
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2ccc(C3(O)CCNCC34CCCCC4)cc2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C25H31N3O3/c1-16-20(19-6-8-22(29)28-23(19)30)14-17-13-18(5-7-21(17)27-16)25(31)11-12-26-15-24(25)9-3-2-4-10-24/h5,7,13-14,19,26,31H,2-4,6,8-12,15H2,1H3,(H,28,29,30)
InChIKeyOOHVGRHLIOGIIP-UHFFFAOYSA-N
XLogP3.19
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-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)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220
3-[6-[4-hydroxy-3-(methoxymethyl)-3-methylpiperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016434
3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
CID 177017366
3-(7-hydroxy-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 166151987
[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
CID 175590062
tert-butyl 2-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinoline-6-carbonyl]amino]acetate
CID 171788885
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane
CID 177015948
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-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-[6-(1-ethyl-4-hydroxy-3,3-dipropylpiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione
CID 177016735
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione (CID 177017584) is 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione is Cc1nc2ccc(C3(O)CCNCC34CCCCC4)cc2cc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione?
The InChIKey is OOHVGRHLIOGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-16-20(19-6-8-22(29)28-23(19)30)14-17-13-18(5-7-21(17)27-16)25(31)11-12-26-15-24(25)9-3-2-4-10-24/h5,7,13-14,19,26,31H,2-4,6,8-12,15H2,1H3,(H,28,29,30).
What are the key properties of 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione?
3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione has a molecular weight of 421.54 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 177017584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).