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CAS 836685-68-8 N-PIPERIDIN-4-YLCYCLOPROPANECARBOXAMIDE molecular structure lightbox
CAS RN: 836685-68-8

N-PIPERIDIN-4-YLCYCLOPROPANECARBOXAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS836685-68-8
  • Purity/Analytical Methods: >99.0%
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836685-68-8 / N-piperidin-4-ylcyclopropanecarboxamide

Standard CAS: 836685-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
836685-68-8
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
InChI
InChI=1S/C9H16N2O/c12-9(7-1-2-7)11-8-3-5-10-6-4-8/h7-8,10H,1-6H2,(H,11,12)
InChIKey
NWIPHMJDAVGBOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.76
TPSA
41.13

LogP / Solubility

WLOGP
0.26
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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