1-(2-piperidin-1-ylethyl)quinolin-4-one

C16H20N2O — CID 141163131

IUPAC1-(2-piperidin-1-ylethyl)quinolin-4-one
SMILESO=c1ccn(CCN2CCCCC2)c2ccccc12
InChIInChI=1S/C16H20N2O/c19-16-8-11-18(15-7-3-2-6-14(15)16)13-12-17-9-4-1-5-10-17/h2-3,6-8,11H,1,4-5,9-10,12-13H2
InChIKeyQSSBNTYTTHOMEA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)quinolin-4-one

1-(2-piperidin-1-ylethyl)quinolin-4-one (PubChem CID 141163131) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)quinolin-4-one.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)quinolin-4-one
PubChem CID141163131
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-piperidin-1-ylethyl)quinolin-4-one
SMILESO=c1ccn(CCN2CCCCC2)c2ccccc12
InChIInChI=1S/C16H20N2O/c19-16-8-11-18(15-7-3-2-6-14(15)16)13-12-17-9-4-1-5-10-17/h2-3,6-8,11H,1,4-5,9-10,12-13H2
InChIKeyQSSBNTYTTHOMEA-UHFFFAOYSA-N
XLogP2.49
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)quinolin-4-one?
The IUPAC name of 1-(2-piperidin-1-ylethyl)quinolin-4-one (CID 141163131) is 1-(2-piperidin-1-ylethyl)quinolin-4-one.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)quinolin-4-one?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)quinolin-4-one is O=c1ccn(CCN2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)quinolin-4-one?
The InChIKey is QSSBNTYTTHOMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-8-11-18(15-7-3-2-6-14(15)16)13-12-17-9-4-1-5-10-17/h2-3,6-8,11H,1,4-5,9-10,12-13H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)quinolin-4-one?
1-(2-piperidin-1-ylethyl)quinolin-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)quinolin-4-one is sourced from PubChem (CID 141163131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).