1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one

C19H24N2O — CID 178187525

IUPAC1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
SMILESCCC1CNCCC1CC(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C19H24N2O/c1-2-14-13-20-9-7-15(14)11-17(22)12-16-8-10-21-19-6-4-3-5-18(16)19/h3-6,8,10,14-15,20H,2,7,9,11-13H2,1H3
InChIKeyYFEXMNYZEMJUIT-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one

1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one (PubChem CID 178187525) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
PubChem CID178187525
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
SMILESCCC1CNCCC1CC(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C19H24N2O/c1-2-14-13-20-9-7-15(14)11-17(22)12-16-8-10-21-19-6-4-3-5-18(16)19/h3-6,8,10,14-15,20H,2,7,9,11-13H2,1H3
InChIKeyYFEXMNYZEMJUIT-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
CID 116559522
[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 135095275
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 3053309
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one?
The IUPAC name of 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one (CID 178187525) is 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one.
What is the SMILES notation for 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one?
The canonical SMILES for 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one is CCC1CNCCC1CC(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one?
The InChIKey is YFEXMNYZEMJUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-14-13-20-9-7-15(14)11-17(22)12-16-8-10-21-19-6-4-3-5-18(16)19/h3-6,8,10,14-15,20H,2,7,9,11-13H2,1H3.
What are the key properties of 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one?
1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one has a molecular weight of 296.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one is sourced from PubChem (CID 178187525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).