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CAS 1008562-93-3 (S)-tert-butyl 3-(Methoxy(Methyl)carbaMoyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1008562-93-3

(S)-tert-butyl 3-(Methoxy(Methyl)carbaMoyl)piperidine-1-carboxylate

  • Product code: SSC-001592
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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: 5g
  • 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 1008562-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1008562-93-3 / tert-butyl (3S)-3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate | 1-Boc-N-methoxy-N-methylpiperidine-3-carboxamide | tert-Butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate

Standard CAS: 1008562-93-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1008562-93-3
Multi CAS
Yes
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N(C)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKey
NQGXVXHYGRAABB-JTQLQIEISA-N
Synonyms
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate 1-Boc-N-methoxy-N-methylpiperidine-3-carboxamide tert-Butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate 1-Boc-3-(methoxy-methyl-carbamoyl)piperidine 1-Boc-3-[methoxy(methyl)carbamoyl]piperidine

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.31
TPSA
59.08

LogP / Solubility

WLOGP
1.65
MLOGP
1.46
XLogP3
1.1
Consensus LogP
1.4
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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