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CAS 203056-27-3 1-BOC-(2S)-[N-METHOXY-N-METHYLCARBAMOYL]PIPERIDINE molecular structure lightbox
CAS RN: 203056-27-3

1-BOC-(2S)-[N-METHOXY-N-METHYLCARBAMOYL]PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS203056-27-3
  • Purity/Analytical Methods: >99.0%
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203056-27-3 / tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

Standard CAS: 203056-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203056-27-3
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(C)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKey
BYYHZPIPLAIBOA-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.36
TPSA
59.08

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-3.11

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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