CAS RN: 202819-47-4
N-benzylpiperazine-1-carboxamide
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.20260522 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS202819-47-4
- Purity/Analytical Methods: >99.0%
202819-47-4 / N-benzylpiperazine-1-carboxamide
Basic Information
CAS
202819-47-4
Multi CAS
No
Molecular Formula
C12H17N3O
Molecular Weight
219.280000
Exact Mass
219.137162
SMILES
C1CN(CCN1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,16)
InChIKey
YBTIOCICPPSYEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.12
TPSA
44.37
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.4
Consensus LogP
0.64
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 202821-81-6 3-[(5-CHLORO-2-HYDROXYPHENYL)METHYL]-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2(3H)-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[(5-CHLORO-2-HYDROXYPHENYL)METHYL]-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2(3H)-ONE
- CAS RN: 202821-81-6
- Product Code: SSC-095479
-
5-[4-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
- CAS RN: 202823-22-1
- Product Code: starshine_CAS202823-22-1
- Purity/Analytical method: >99.0%
-
5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-AMINE
- CAS RN: 202823-23-2
- Product Code: SSC-095480
-
1,4-DICHLORO-5,6,7,8-TETRAHYDRO-5,8-ETHANOPHTHALAZINE
- CAS RN: 202823-67-4
- Product Code: SSC-095482
-
(S)-2-((4-((4-fluorobenzyl)oxy)benzyl)amino)propanamide
- CAS RN: 202825-43-2
- Product Code: starshine_CAS202825-43-2
- Purity/Analytical method: >99.0%
-
![CAS 202821-81-6 3-[(5-CHLORO-2-HYDROXYPHENYL)METHYL]-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202821-81-6.gif)
![CAS 202823-22-1 5-[4-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202823-22-1.gif)
![CAS 202823-23-2 5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202823-23-2.gif)
