6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one

C16H22N2O2 — CID 96669721

IUPAC6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCC(O)CC3)ccc2N1
InChIInChI=1S/C16H22N2O2/c19-14-6-9-18(10-7-14)8-5-12-1-3-15-13(11-12)2-4-16(20)17-15/h1,3,11,14,19H,2,4-10H2,(H,17,20)
InChIKeyUNYSXAOMQIMCES-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.57
Rot. Bonds3

About 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 96669721) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID96669721
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCC(O)CC3)ccc2N1
InChIInChI=1S/C16H22N2O2/c19-14-6-9-18(10-7-14)8-5-12-1-3-15-13(11-12)2-4-16(20)17-15/h1,3,11,14,19H,2,4-10H2,(H,17,20)
InChIKeyUNYSXAOMQIMCES-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 23160518
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 70454211
6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 23160541
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
5-(2-morpholin-4-ylethyl)-1,3-dihydroindol-2-one
CID 10198779
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 96669721) is 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCN3CCC(O)CC3)ccc2N1.
What is the InChIKey of 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UNYSXAOMQIMCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-14-6-9-18(10-7-14)8-5-12-1-3-15-13(11-12)2-4-16(20)17-15/h1,3,11,14,19H,2,4-10H2,(H,17,20).
What are the key properties of 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 96669721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).