2-piperidin-4-yl-1-quinolin-3-ylethanone

C16H18N2O — CID 116559840

IUPAC2-piperidin-4-yl-1-quinolin-3-ylethanone
SMILESO=C(CC1CCNCC1)c1cnc2ccccc2c1
InChIInChI=1S/C16H18N2O/c19-16(9-12-5-7-17-8-6-12)14-10-13-3-1-2-4-15(13)18-11-14/h1-4,10-12,17H,5-9H2
InChIKeyWMPOTJSZIPGNMD-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.81
Rot. Bonds3

About 2-piperidin-4-yl-1-quinolin-3-ylethanone

2-piperidin-4-yl-1-quinolin-3-ylethanone (PubChem CID 116559840) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-piperidin-4-yl-1-quinolin-3-ylethanone
PubChem CID116559840
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-piperidin-4-yl-1-quinolin-3-ylethanone
SMILESO=C(CC1CCNCC1)c1cnc2ccccc2c1
InChIInChI=1S/C16H18N2O/c19-16(9-12-5-7-17-8-6-12)14-10-13-3-1-2-4-15(13)18-11-14/h1-4,10-12,17H,5-9H2
InChIKeyWMPOTJSZIPGNMD-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-quinolin-3-ylethanone?
The IUPAC name of 2-piperidin-4-yl-1-quinolin-3-ylethanone (CID 116559840) is 2-piperidin-4-yl-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-piperidin-4-yl-1-quinolin-3-ylethanone?
The canonical SMILES for 2-piperidin-4-yl-1-quinolin-3-ylethanone is O=C(CC1CCNCC1)c1cnc2ccccc2c1.
What is the InChIKey of 2-piperidin-4-yl-1-quinolin-3-ylethanone?
The InChIKey is WMPOTJSZIPGNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(9-12-5-7-17-8-6-12)14-10-13-3-1-2-4-15(13)18-11-14/h1-4,10-12,17H,5-9H2.
What are the key properties of 2-piperidin-4-yl-1-quinolin-3-ylethanone?
2-piperidin-4-yl-1-quinolin-3-ylethanone has a molecular weight of 254.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-quinolin-3-ylethanone is sourced from PubChem (CID 116559840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).