![CAS 1146080-07-0 3-[4-(Morpholine-4-carbonyl)-phenoxyMethyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C22H32N2O5, MW: 404.51 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-07-0.gif)
CAS RN: 1146080-07-0
3-[4-(Morpholine-4-carbonyl)-phenoxyMethyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C22H32N2O5, MW: 404.51
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.20251116 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-07-0
- Purity/Analytical Methods: >99.0%
1146080-07-0 / tert-butyl 3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
tert-Butyl 3-((4-(morpholine-4-carbonyl)phenoxy)methyl)piperidine-1-carboxylate | tert-butyl 3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidine-1-carboxylate | DTXSID50671360
Basic Information
CAS
1146080-07-0
Multi CAS
No
Molecular Formula
C22H32N2O5
Molecular Weight
404.500000
Exact Mass
404.231122
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=C(C=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C22H32N2O5/c1-22(2,3)29-21(26)24-10-4-5-17(15-24)16-28-19-8-6-18(7-9-19)20(25)23-11-13-27-14-12-23/h6-9,17H,4-5,10-16H2,1-3H3
InChIKey
NTWIHQIHEPWZIT-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-((4-(morpholine-4-carbonyl)phenoxy)methyl)piperidine-1-carboxylate
tert-butyl 3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
DTXSID50671360
tert-Butyl 3-{[4-(morpholine-4-carbonyl)phenoxy]methyl}piperidine-1-carboxylate
RefChem:1099520
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
109.19
TPSA
68.31
LogP / Solubility
WLOGP
3.18
MLOGP
2.83
XLogP3
2.6
Consensus LogP
2.87
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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