4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one

C18H22N2O — CID 116562408

IUPAC4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one
SMILESO=C(CCC1CCCNC1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O/c21-17(10-7-14-4-3-11-19-13-14)12-16-9-8-15-5-1-2-6-18(15)20-16/h1-2,5-6,8-9,14,19H,3-4,7,10-13H2
InChIKeyLWGLDBFYPYGUFO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds5

About 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one

4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one (PubChem CID 116562408) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one
PubChem CID116562408
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one
SMILESO=C(CCC1CCCNC1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O/c21-17(10-7-14-4-3-11-19-13-14)12-16-9-8-15-5-1-2-6-18(15)20-16/h1-2,5-6,8-9,14,19H,3-4,7,10-13H2
InChIKeyLWGLDBFYPYGUFO-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyltriazol-4-yl)-4-piperidin-3-ylbutan-2-one
CID 107061927
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
1-quinolin-2-ylpentan-2-one
CID 28935199
1-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562249
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
CID 114350384
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301
N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one?
The IUPAC name of 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one (CID 116562408) is 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one?
The canonical SMILES for 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one is O=C(CCC1CCCNC1)Cc1ccc2ccccc2n1.
What is the InChIKey of 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one?
The InChIKey is LWGLDBFYPYGUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-17(10-7-14-4-3-11-19-13-14)12-16-9-8-15-5-1-2-6-18(15)20-16/h1-2,5-6,8-9,14,19H,3-4,7,10-13H2.
What are the key properties of 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one?
4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one has a molecular weight of 282.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 116562408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).