CAS RN: 1185313-04-5
Thiophene-3-carboxylicacid(piperidin-3-ylMethyl)-aMide hydrochloride, 98+% C11H17ClN2OS, MW: 260.83
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.20260320 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-04-5
- Purity/Analytical Methods: >99.0%
1185313-04-5 / N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
N-(piperidin-3-ylmethyl)thiophene-3-carboxamide hydrochloride | N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride | Thiophene-3-carboxylicacid(piperidin-3-ylMethyl)-aMide hydrochloride, 98+% C11H17ClN2OS, MW
Basic Information
CAS
1185313-04-5
Multi CAS
Yes
Molecular Formula
C11H17ClN2OS
Molecular Weight
260.780000
Exact Mass
260.075012
SMILES
C1CC(CNC1)CNC(=O)C2=CSC=C2.Cl
InChI
InChI=1S/C11H16N2OS.ClH/c14-11(10-3-5-15-8-10)13-7-9-2-1-4-12-6-9;/h3,5,8-9,12H,1-2,4,6-7H2,(H,13,14);1H
InChIKey
TVTOMQWQJUPFKV-UHFFFAOYSA-N
Synonyms
N-(piperidin-3-ylmethyl)thiophene-3-carboxamide hydrochloride
N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
Thiophene-3-carboxylicacid(piperidin-3-ylMethyl)-aMide hydrochloride, 98+% C11H17ClN2OS, MW
DTXSID80671616
N-(Piperidin-3-ylmethyl)thiophene-3-carboxamidehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.49
TPSA
41.13
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.96
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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