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CAS 886508-20-9 1-(piperidine-4-carbonyl)piperidine-4-carboxamide molecular structure lightbox
CAS RN: 886508-20-9

1-(piperidine-4-carbonyl)piperidine-4-carboxamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS886508-20-9
  • Purity/Analytical Methods: >99.0%
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886508-20-9 / 1-(piperidine-4-carbonyl)piperidine-4-carboxamide

Standard CAS: 886508-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886508-20-9
Multi CAS
No
Molecular Formula
C12H21N3O2
Molecular Weight
239.310000
Exact Mass
239.163377
InChI
InChI=1S/C12H21N3O2/c13-11(16)9-3-7-15(8-4-9)12(17)10-1-5-14-6-2-10/h9-10,14H,1-8H2,(H2,13,16)
InChIKey
ZPXPBAVOOBWSRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.09
TPSA
75.43

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.25
XLogP3
-0.9
Consensus LogP
-0.48
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-4.39

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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