3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one

C17H18N2O — CID 68717094

IUPAC3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one
SMILESO=C(C=CN1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H18N2O/c20-17(8-11-19-9-4-1-5-10-19)15-12-14-6-2-3-7-16(14)18-13-15/h2-3,6-8,11-13H,1,4-5,9-10H2
InChIKeyMMMXNIUQDRJQLE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds3

About 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one

3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one (PubChem CID 68717094) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one
PubChem CID68717094
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one
SMILESO=C(C=CN1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H18N2O/c20-17(8-11-19-9-4-1-5-10-19)15-12-14-6-2-3-7-16(14)18-13-15/h2-3,6-8,11-13H,1,4-5,9-10H2
InChIKeyMMMXNIUQDRJQLE-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one?
The IUPAC name of 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one (CID 68717094) is 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one is O=C(C=CN1CCCCC1)c1cnc2ccccc2c1.
What is the InChIKey of 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one?
The InChIKey is MMMXNIUQDRJQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(8-11-19-9-4-1-5-10-19)15-12-14-6-2-3-7-16(14)18-13-15/h2-3,6-8,11-13H,1,4-5,9-10H2.
What are the key properties of 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one?
3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one is sourced from PubChem (CID 68717094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).