3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one

C17H20N2O — CID 116563315

IUPAC3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O/c20-17(6-5-13-7-9-18-10-8-13)15-11-14-3-1-2-4-16(14)19-12-15/h1-4,11-13,18H,5-10H2
InChIKeyNGZLMCUUPUXTLG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.20
Rot. Bonds4

About 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one

3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one (PubChem CID 116563315) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
PubChem CID116563315
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O/c20-17(6-5-13-7-9-18-10-8-13)15-11-14-3-1-2-4-16(14)19-12-15/h1-4,11-13,18H,5-10H2
InChIKeyNGZLMCUUPUXTLG-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one (CID 116563315) is 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one is O=C(CCC1CCNCC1)c1cnc2ccccc2c1.
What is the InChIKey of 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one?
The InChIKey is NGZLMCUUPUXTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(6-5-13-7-9-18-10-8-13)15-11-14-3-1-2-4-16(14)19-12-15/h1-4,11-13,18H,5-10H2.
What are the key properties of 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one?
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one is sourced from PubChem (CID 116563315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).