1-(1-quinolin-4-ylpiperidin-2-yl)ethanone

C16H18N2O — CID 55258345

IUPAC1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
SMILESCC(=O)C1CCCCN1c1ccnc2ccccc12
InChIInChI=1S/C16H18N2O/c1-12(19)15-8-4-5-11-18(15)16-9-10-17-14-7-3-2-6-13(14)16/h2-3,6-7,9-10,15H,4-5,8,11H2,1H3
InChIKeyWSUBRAGPTRIPBT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.18
Rot. Bonds2

About 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone

1-(1-quinolin-4-ylpiperidin-2-yl)ethanone (PubChem CID 55258345) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
PubChem CID55258345
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
SMILESCC(=O)C1CCCCN1c1ccnc2ccccc12
InChIInChI=1S/C16H18N2O/c1-12(19)15-8-4-5-11-18(15)16-9-10-17-14-7-3-2-6-13(14)16/h2-3,6-7,9-10,15H,4-5,8,11H2,1H3
InChIKeyWSUBRAGPTRIPBT-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone (CID 55258345) is 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone is CC(=O)C1CCCCN1c1ccnc2ccccc12.
What is the InChIKey of 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone?
The InChIKey is WSUBRAGPTRIPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(19)15-8-4-5-11-18(15)16-9-10-17-14-7-3-2-6-13(14)16/h2-3,6-7,9-10,15H,4-5,8,11H2,1H3.
What are the key properties of 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone?
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-4-ylpiperidin-2-yl)ethanone is sourced from PubChem (CID 55258345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).