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CAS 320580-76-5 1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)- molecular structure lightbox
CAS RN: 320580-76-5

1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-

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Batchno.20250803 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS320580-76-5
  • Purity/Analytical Methods: >99.0%
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320580-76-5 / tert-butyl 3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

Standard CAS: 320580-76-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
320580-76-5
Multi CAS
Yes
Molecular Formula
C18H26N2O4
Molecular Weight
334.400000
Exact Mass
334.189257
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKey
DPJNXCVNNCIYKQ-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.59
TPSA
67.87

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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