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CAS 1051932-06-9 1′,4′-dihydro-3’H-spiro[piperidine-4,2′-quinoxalin]-3′-one(SALTDATA: 2HCl) molecular structure lightbox
CAS RN: 1051932-06-9

1′,4′-dihydro-3’H-spiro[piperidine-4,2′-quinoxalin]-3′-one(SALTDATA: 2HCl)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1051932-06-9
  • Purity/Analytical Methods: >99.0%
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1051932-06-9 / spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one | 1'H-Spiro[piperidine-4,2'-quinoxalin]-3'(4'H)-one | spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

Standard CAS: 1051932-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1051932-06-9
Multi CAS
No
Molecular Formula
C12H15N3O
Molecular Weight
217.270000
Exact Mass
217.121512
SMILES
C1CNCCC12C(=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C12H15N3O/c16-11-12(5-7-13-8-6-12)15-10-4-2-1-3-9(10)14-11/h1-4,13,15H,5-8H2,(H,14,16)
InChIKey
LBMJLMGXMFEOAE-UHFFFAOYSA-N
Synonyms
1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one 1'H-Spiro[piperidine-4,2'-quinoxalin]-3'(4'H)-one spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one SCHEMBL30552386 HMS3566G05

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
3
H-bond donors
3
Molar refractivity
63.53
TPSA
53.16

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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