CAS RN: 1131594-78-9
(1-PIPERIDIN-3-YL-AZETIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
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.20250915 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1131594-78-9
- Purity/Analytical Methods: >99.0%
1131594-78-9 / tert-butyl N-(1-piperidin-3-ylazetidin-3-yl)carbamate
tert-Butyl (1-(piperidin-3-yl)azetidin-3-yl)carbamate | (1-PIPERIDIN-3-YL-AZETIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER | tert-butyl N-(1-piperidin-3-ylazetidin-3-yl)carbamate
Basic Information
CAS
1131594-78-9
Multi CAS
No
Molecular Formula
C13H25N3O2
Molecular Weight
255.360000
Exact Mass
255.194677
SMILES
CC(C)(C)OC(=O)NC1CN(C1)C2CCCNC2
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)15-10-8-16(9-10)11-5-4-6-14-7-11/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKey
GMBLUCQZYCOUNU-UHFFFAOYSA-N
Synonyms
tert-Butyl (1-(piperidin-3-yl)azetidin-3-yl)carbamate
(1-PIPERIDIN-3-YL-AZETIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
tert-butyl N-(1-piperidin-3-ylazetidin-3-yl)carbamate
TERT-BUTYL N-[1-(PIPERIDIN-3-YL)AZETIDIN-3-YL]CARBAMATE
1,1-Dimethylethyl N-[1-(3-piperidinyl)-3-azetidinyl]carbamate
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.62
TPSA
53.6
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.9
Consensus LogP
0.9
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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