![CAS 1353978-56-9 Benzo[1,3]dioxole-5-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52581001(1).gif)
CAS RN: 1353978-56-9
Benzo[1,3]dioxole-5-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260427 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353978-56-9
- Purity/Analytical Methods: >99.0%
1353978-56-9 / N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide;hydrochloride
Basic Information
CAS
1353978-56-9
Multi CAS
No
Molecular Formula
C14H19ClN2O3
Molecular Weight
298.760000
Exact Mass
298.108420
SMILES
CN(C1CCNCC1)C(=O)C2=CC3=C(C=C2)OCO3.Cl
InChI
InChI=1S/C14H18N2O3.ClH/c1-16(11-4-6-15-7-5-11)14(17)10-2-3-12-13(8-10)19-9-18-12;/h2-3,8,11,15H,4-7,9H2,1H3;1H
InChIKey
AHZJAPIXRIBOTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.8
TPSA
50.8
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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