CAS RN: 1177014-58-2
tert-butyl (R)-(1-acetylpiperidin-3-yl)carbamate
- Product code: SSC-017539
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 |
1177014-58-2 / tert-butyl N-[(3R)-1-acetylpiperidin-3-yl]carbamate
(R)-tert-Butyl (1-acetylpiperidin-3-yl)carbamate | SCHEMBL1159171 | MFCD30729986
Basic Information
CAS
1177014-58-2
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(=O)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O3/c1-9(15)14-7-5-6-10(8-14)13-11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)/t10-/m1/s1
InChIKey
KFOQNVCQLLARFM-SNVBAGLBSA-N
Synonyms
(R)-tert-Butyl (1-acetylpiperidin-3-yl)carbamate
SCHEMBL1159171
MFCD30729986
SY468893
(R)-tert-Butyl(1-acetylpiperidin-3-yl)carbamate
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.65
TPSA
58.64
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.12
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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