1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone

C16H18N2O3 — CID 141217878

IUPAC1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
SMILESO=C(COc1ccnc2ccccc12)N1CCCC(O)C1
InChIInChI=1S/C16H18N2O3/c19-12-4-3-9-18(10-12)16(20)11-21-15-7-8-17-14-6-2-1-5-13(14)15/h1-2,5-8,12,19H,3-4,9-11H2
InChIKeyBEOGKEGDJCQFJU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone

1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone (PubChem CID 141217878) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
PubChem CID141217878
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
SMILESO=C(COc1ccnc2ccccc12)N1CCCC(O)C1
InChIInChI=1S/C16H18N2O3/c19-12-4-3-9-18(10-12)16(20)11-21-15-7-8-17-14-6-2-1-5-13(14)15/h1-2,5-8,12,19H,3-4,9-11H2
InChIKeyBEOGKEGDJCQFJU-UHFFFAOYSA-N
XLogP1.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141217853
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 107224280
N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141330636
1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone
CID 141217877
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
CID 103044837
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone (CID 141217878) is 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone is O=C(COc1ccnc2ccccc12)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone?
The InChIKey is BEOGKEGDJCQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-12-4-3-9-18(10-12)16(20)11-21-15-7-8-17-14-6-2-1-5-13(14)15/h1-2,5-8,12,19H,3-4,9-11H2.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone?
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone has a molecular weight of 286.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone is sourced from PubChem (CID 141217878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).