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CAS 208179-77-5 ETHYL 4-ACETAMIDOPIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 208179-77-5

ETHYL 4-ACETAMIDOPIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-097907
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 208179-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

208179-77-5 / ethyl 4-acetamidopiperidine-1-carboxylate

Standard CAS: 208179-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208179-77-5
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CCOC(=O)N1CCC(CC1)NC(=O)C
InChI
InChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-4-9(5-7-12)11-8(2)13/h9H,3-7H2,1-2H3,(H,11,13)
InChIKey
VWPJAMFDDNCPJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.43
TPSA
58.64

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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