CAS RN: 1185312-18-8
Thiophene-3-carboxylicacidpiperidin-3-ylaMide hydrochloride, 98+% C10H15ClN2OS, MW: 246.76
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.20251019 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185312-18-8
- Purity/Analytical Methods: >99.0%
1185312-18-8 / N-piperidin-3-ylthiophene-3-carboxamide;hydrochloride
N-(Piperidin-3-yl)thiophene-3-carboxamide hydrochloride | N-piperidin-3-ylthiophene-3-carboxamide;hydrochloride | DTXSID60671614
Basic Information
CAS
1185312-18-8
Multi CAS
No
Molecular Formula
C10H15ClN2OS
Molecular Weight
246.760000
Exact Mass
246.059362
SMILES
C1CC(CNC1)NC(=O)C2=CSC=C2.Cl
InChI
InChI=1S/C10H14N2OS.ClH/c13-10(8-3-5-14-7-8)12-9-2-1-4-11-6-9;/h3,5,7,9,11H,1-2,4,6H2,(H,12,13);1H
InChIKey
WWOBRGKHYVJMGE-UHFFFAOYSA-N
Synonyms
N-(Piperidin-3-yl)thiophene-3-carboxamide hydrochloride
N-piperidin-3-ylthiophene-3-carboxamide;hydrochloride
DTXSID60671614
SBB075246
AKOS015941061
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.92
TPSA
41.13
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.65
Consensus LogP
1.59
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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