CAS RN: 1185319-57-6
N-piperidin-3-ylMethyl-2-thiophen-3-yl-acetaMide hydrochloride, 98+% C12H19ClN2OS, MW: 274.85
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-57-6
- Purity/Analytical Methods: >99.0%
1185319-57-6 / N-(piperidin-3-ylmethyl)-2-thiophen-3-ylacetamide;hydrochloride
N-(Piperidin-3-ylmethyl)-2-(thiophen-3-yl)acetamide hydrochloride | N-(piperidin-3-ylmethyl)-2-thiophen-3-ylacetamide;hydrochloride | N-piperidin-3-ylmethyl-2-thiophen-3-yl-acetamide hydrochloride
Basic Information
CAS
1185319-57-6
Multi CAS
No
Molecular Formula
C12H19ClN2OS
Molecular Weight
274.810000
Exact Mass
274.090662
SMILES
C1CC(CNC1)CNC(=O)CC2=CSC=C2.Cl
InChI
InChI=1S/C12H18N2OS.ClH/c15-12(6-10-3-5-16-9-10)14-8-11-2-1-4-13-7-11;/h3,5,9,11,13H,1-2,4,6-8H2,(H,14,15);1H
InChIKey
OYYWVZDXFZJVSH-UHFFFAOYSA-N
Synonyms
N-(Piperidin-3-ylmethyl)-2-(thiophen-3-yl)acetamide hydrochloride
N-(piperidin-3-ylmethyl)-2-thiophen-3-ylacetamide;hydrochloride
N-piperidin-3-ylmethyl-2-thiophen-3-yl-acetamide hydrochloride
N-piperidin-3-ylMethyl-2-thiophen-3-yl-acetaMide hydrochloride, 98+% C12H19ClN2OS, MW
DTXSID70671620
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.87
TPSA
41.13
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-3.1
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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