CAS RN: 88466-77-7
1-Boc-3-carbamoyl piperidine
Product Availability
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5 package records0 with current stock1 grade group
- Product code: starshine_CAS88466-77-7
- Purity/Analytical Methods: >99.0%
88466-77-7 / tert-butyl 3-carbamoylpiperidine-1-carboxylate
Basic Information
CAS
88466-77-7
Multi CAS
Yes
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m0/s1
InChIKey
APFUDGDIIFSTSD-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.73
TPSA
72.63
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
0.5
Consensus LogP
0.87
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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