CAS RN: 1421366-99-5
2-Piperidinecarboxamide, 1-(2-oxo-2-phenylacetyl)-N-(3-phenylpropyl)-, (2S)-
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.20251003 | 1mg / 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1421366-99-5
- Purity/Analytical Methods: >99.0%
1421366-99-5 / (2S)-1-(2-oxo-2-phenylacetyl)-N-(3-phenylpropyl)piperidine-2-carboxamide
Basic Information
CAS
1421366-99-5
Multi CAS
No
Molecular Formula
C23H26N2O3
Molecular Weight
378.500000
Exact Mass
378.194343
SMILES
C1CCN([C@@H](C1)C(=O)NCCCC2=CC=CC=C2)C(=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H26N2O3/c26-21(19-13-5-2-6-14-19)23(28)25-17-8-7-15-20(25)22(27)24-16-9-12-18-10-3-1-4-11-18/h1-6,10-11,13-14,20H,7-9,12,15-17H2,(H,24,27)/t20-/m0/s1
InChIKey
QXYDCLICGYMGIX-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.9
TPSA
66.48
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
3.8
Consensus LogP
3.15
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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