CAS RN: 174543-79-4
1-piperidinecarboxylic acid, 3-(aminocarbonyl)-3-methyl-, phenylmethyl ester
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.20260515 | 250mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-076563
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
174543-79-4 / benzyl 3-carbamoyl-3-methylpiperidine-1-carboxylate
Basic Information
CAS
174543-79-4
Multi CAS
No
Molecular Formula
C15H20N2O3
Molecular Weight
276.330000
Exact Mass
276.147393
SMILES
CC1(CCCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C15H20N2O3/c1-15(13(16)18)8-5-9-17(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H2,16,18)
InChIKey
WGDHSFVEXLWNPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.74
TPSA
72.63
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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