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CAS 1093759-67-1 tert-Butyl 4-acetaMidopiperidin-1-carboxylate molecular structure lightbox
CAS RN: 1093759-67-1

tert-Butyl 4-acetaMidopiperidin-1-carboxylate

  • Product code: SSC-010649
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 10g, 25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1093759-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Beijing Inquiry
25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Beijing Inquiry

1093759-67-1 / tert-butyl 4-acetamidopiperidine-1-carboxylate

tert-Butyl 4-acetamidopiperidine-1-carboxylate | 1-Boc-4-(acetamido)piperidine | 4-Acetylamino-1-Boc-piperidine

Standard CAS: 1093759-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093759-67-1
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O3/c1-9(15)13-10-5-7-14(8-6-10)11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,15)
InChIKey
GIJOQYNFKUGGNT-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-acetamidopiperidine-1-carboxylate 1-Boc-4-(acetamido)piperidine 4-Acetylamino-1-Boc-piperidine MFCD09908271 tert-butyl 4-acetaMidopiperidin-1-carboxylate

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
1.5

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