1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone

C19H24N2O2 — CID 4879089

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
SMILESCc1ccc2cccc(OCC(=O)N3CC(C)CC(C)C3)c2n1
InChIInChI=1S/C19H24N2O2/c1-13-9-14(2)11-21(10-13)18(22)12-23-17-6-4-5-16-8-7-15(3)20-19(16)17/h4-8,13-14H,9-12H2,1-3H3
InChIKeySPTHPIRQSXVAKF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.43
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone (PubChem CID 4879089) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
PubChem CID4879089
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
SMILESCc1ccc2cccc(OCC(=O)N3CC(C)CC(C)C3)c2n1
InChIInChI=1S/C19H24N2O2/c1-13-9-14(2)11-21(10-13)18(22)12-23-17-6-4-5-16-8-7-15(3)20-19(16)17/h4-8,13-14H,9-12H2,1-3H3
InChIKeySPTHPIRQSXVAKF-UHFFFAOYSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone (CID 4879089) is 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone is Cc1ccc2cccc(OCC(=O)N3CC(C)CC(C)C3)c2n1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
The InChIKey is SPTHPIRQSXVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-9-14(2)11-21(10-13)18(22)12-23-17-6-4-5-16-8-7-15(3)20-19(16)17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone has a molecular weight of 312.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone is sourced from PubChem (CID 4879089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).