CAS RN: 163361-25-9
1-Piperazinecarboxamide,N-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS163361-25-9
- Purity/Analytical Methods: >99.0%
163361-25-9 / N-methylpiperazine-1-carboxamide
Basic Information
CAS
163361-25-9
Multi CAS
No
Molecular Formula
C6H13N3O
Molecular Weight
143.190000
Exact Mass
143.105862
SMILES
CNC(=O)N1CCNCC1
InChI
InChI=1S/C6H13N3O/c1-7-6(10)9-4-2-8-3-5-9/h8H,2-5H2,1H3,(H,7,10)
InChIKey
HPYONZVIPMACEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.9
TPSA
44.37
LogP / Solubility
WLOGP
-0.77
MLOGP
-0.68
XLogP3
-1.1
Consensus LogP
-0.85
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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