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CAS 1353951-66-2 Benzo[1,3]dioxole-5-carboxylic acid piperidin-3-ylaMide hydrochloride molecular structure lightbox
CAS RN: 1353951-66-2

Benzo[1,3]dioxole-5-carboxylic acid piperidin-3-ylaMide hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353951-66-2
  • Purity/Analytical Methods: >99.0%
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1353951-66-2 / N-piperidin-3-yl-1,3-benzodioxole-5-carboxamide;hydrochloride

Standard CAS: 1353951-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353951-66-2
Multi CAS
No
Molecular Formula
C13H17ClN2O3
Molecular Weight
284.740000
Exact Mass
284.092770
SMILES
C1CC(CNC1)NC(=O)C2=CC3=C(C=C2)OCO3.Cl
InChI
InChI=1S/C13H16N2O3.ClH/c16-13(15-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-17-11;/h3-4,6,10,14H,1-2,5,7-8H2,(H,15,16);1H
InChIKey
YPZFJAQZORIPPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.17
TPSA
59.59

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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