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CAS 1903-68-0 N,N-DIMETHYLPIPERIDINE-4-CARBOXAMIDE molecular structure lightbox
CAS RN: 1903-68-0

N,N-DIMETHYLPIPERIDINE-4-CARBOXAMIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1903-68-0
  • Purity/Analytical Methods: >99.0%
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1903-68-0 / N,N-dimethylpiperidine-4-carboxamide

Standard CAS: 1903-68-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1903-68-0
Multi CAS
No
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
SMILES
CN(C)C(=O)C1CCNCC1
InChI
InChI=1S/C8H16N2O/c1-10(2)8(11)7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3
InChIKey
XGABIOSYJHFORX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.29
TPSA
32.34

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.8
Consensus LogP
-0.22
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.62

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)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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