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CAS 1260766-36-6 Methyl 3-(piperidin-3-yl)-1H-indole-6-carboxylate molecular structure lightbox
CAS RN: 1260766-36-6

Methyl 3-(piperidin-3-yl)-1H-indole-6-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260766-36-6
  • Purity/Analytical Methods: >99.0%
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1260766-36-6 / methyl 3-piperidin-3-yl-1H-indole-6-carboxylate

Standard CAS: 1260766-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260766-36-6
Multi CAS
No
Molecular Formula
C15H18N2O2
Molecular Weight
258.320000
Exact Mass
258.136828
SMILES
COC(=O)C1=CC2=C(C=C1)C(=CN2)C3CCCNC3
InChI
InChI=1S/C15H18N2O2/c1-19-15(18)10-4-5-12-13(9-17-14(12)7-10)11-3-2-6-16-8-11/h4-5,7,9,11,16-17H,2-3,6,8H2,1H3
InChIKey
XMUZOZYOLWQJSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.48
TPSA
54.12

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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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