1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone

C17H20N2O2 — CID 112978586

IUPAC1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
SMILESCC1CCN(C(=O)COc2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H20N2O2/c1-13-6-9-19(10-7-13)17(20)12-21-15-4-5-16-14(11-15)3-2-8-18-16/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyXUNYPMSPRDLIHX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.87
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone

1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone (PubChem CID 112978586) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
PubChem CID112978586
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
SMILESCC1CCN(C(=O)COc2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H20N2O2/c1-13-6-9-19(10-7-13)17(20)12-21-15-4-5-16-14(11-15)3-2-8-18-16/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyXUNYPMSPRDLIHX-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
2-(4-bromo-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 730217
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
CID 110487998
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone (CID 112978586) is 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone is CC1CCN(C(=O)COc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone?
The InChIKey is XUNYPMSPRDLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-9-19(10-7-13)17(20)12-21-15-4-5-16-14(11-15)3-2-8-18-16/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone?
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone has a molecular weight of 284.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone is sourced from PubChem (CID 112978586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).