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CAS 254905-58-3 1-BOC-4-DIMETHYLCARBAMOYLPIPERIDINE molecular structure lightbox
CAS RN: 254905-58-3

1-BOC-4-DIMETHYLCARBAMOYLPIPERIDINE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250103 1g Out of stock Inquiry
Batchno.20260327 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-121484
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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: ＞97%
  • 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 254905-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

254905-58-3 / tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate

Standard CAS: 254905-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254905-58-3
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)C
InChI
InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-8-6-10(7-9-15)11(16)14(4)5/h10H,6-9H2,1-5H3
InChIKey
VRVUOIHXJJWKIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.23
TPSA
49.85

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3.06

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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