N-(1-PROPYL-4-PIPERIDINYL)PROPIONANILIDE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key HDNAZKBGDIBSLJ-UHFFFAOYSA-N
Smiles CCCN1CCC(CC1)N(C(=O)CC)c2ccccc2
InChI
InChI=1S/C17H26N2O/c1-3-12-18-13-10-16(11-14-18)19(17(20)4-2)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26N2O
Molecular Weight 274.4
AlogP 2.81
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 23.55
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 70

Cross References

Resources Reference
ChEMBL CHEMBL2298724
PubChem 76320583
SureChEMBL SCHEMBL23823806
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