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 | Beijing | Inquiry |
18932-64-4 / 1-[4-(1-acetylpiperidin-4-yl)piperidin-1-yl]ethanone
Basic Information
CAS
18932-64-4
Multi CAS
No
Molecular Formula
C14H24N2O2
Molecular Weight
252.350000
Exact Mass
252.183778
SMILES
CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C
InChI
InChI=1S/C14H24N2O2/c1-11(17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)12(2)18/h13-14H,3-10H2,1-2H3
InChIKey
NSFRPXZLYNUAHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.96
TPSA
40.62
LogP / Solubility
WLOGP
1.5
MLOGP
1.33
XLogP3
0.7
Consensus LogP
1.18
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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