Spiro[piperidine-2,2'-adamantane] hydrchloride

ID: ALA473915

Chembl Id: CHEMBL473915

PubChem CID: 44562844

Max Phase: Preclinical

Molecular Formula: C14H24ClN

Molecular Weight: 205.34

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C1CCC2(NC1)C1CC3CC(C1)CC2C3.Cl

Standard InChI:  InChI=1S/C14H23N.ClH/c1-2-4-15-14(3-1)12-6-10-5-11(8-12)9-13(14)7-10;/h10-13,15H,1-9H2;1H

Standard InChI Key:  TWBAZEHCSNXHPG-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 205.34

Molecular Weight (Monoisotopic): 205.1830

AlogP: 2.95

#Rotatable Bonds: ┄

Polar Surface Area: 12.03

Molecular Species: BASE

HBA: 1

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 1

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 11.02

CX LogP: 2.76

CX LogD: -0.33

Aromatic Rings: ┄

Heavy Atoms: 15

QED Weighted: 0.64

Np Likeness Score: 0.85

References

1. Kolocouris A, Spearpoint P, Martin SR, Hay AJ, López-Querol M, Sureda FX, Padalko E, Neyts J, De Clercq E..  (2008)  Comparisons of the influenza virus A M2 channel binding affinities, anti-influenza virus potencies and NMDA antagonistic activities of 2-alkyl-2-aminoadamantanes and analogues.,  18  (23): [PMID:18947998] [10.1016/j.bmcl.2008.10.003]

Source

Source(1):

• Scientific Literature