3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one

C19H22N2O — CID 3053309

IUPAC3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
SMILESC=C[C@H]1CNCC[C@H]1CCC(=O)c1ccnc2ccccc12
InChIInChI=1S/C19H22N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,20H,1,7-9,11,13H2/t14-,15+/m0/s1
InChIKeyPIIQLZXRLGJEKE-LSDHHAIUSA-N
MW294.40 g/mol
LogP3.61
Rot. Bonds5

About 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one

3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one (PubChem CID 3053309) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
PubChem CID3053309
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
SMILESC=C[C@H]1CNCC[C@H]1CCC(=O)c1ccnc2ccccc12
InChIInChI=1S/C19H22N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,20H,1,7-9,11,13H2/t14-,15+/m0/s1
InChIKeyPIIQLZXRLGJEKE-LSDHHAIUSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((2R,3R)-2,3-dihydroxybutanedioic acid);3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 3053308
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 3831557
3-[(3S,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one;hydrochloride
CID 22813412
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
2,3-dihydroxybutanedioic acid;3-(3-ethenyl-1-propylpiperidin-4-yl)-1-quinolin-4-ylpropan-1-one
CID 71480821
(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 163525433
2,3-dihydroxybutanedioic acid;3-[1-[3-(dimethylamino)propyl]-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 71480924
3-(2-ethenylcyclohexyl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 58890043
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 70178018
(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068229

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one?
The IUPAC name of 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one (CID 3053309) is 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one is C=C[C@H]1CNCC[C@H]1CCC(=O)c1ccnc2ccccc12.
What is the InChIKey of 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one?
The InChIKey is PIIQLZXRLGJEKE-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,20H,1,7-9,11,13H2/t14-,15+/m0/s1.
What are the key properties of 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one?
3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one is sourced from PubChem (CID 3053309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).