4,4-Dimethylpiperidine-2,6-dione

Cat. No.: PI1123406

Product Details Other Identifiers Computed Properties

CAS	1123-40-6
Purity	98%
Molecular Formula	C7H11NO2
Linear Formula	C5H5(CH3)2NO2
Molecular Weight	141.17
Molar Refractivity	40.51

Pubchem ID	14292
InChI Key	YUJCWMGBRDBPDL-UHFFFAOYSA-N
MDL Number	MFCD00006671

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	46.17 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.71
Log Po/w (iLOGP)	1.18
Log Po/w (XLOGP3)	0.15
Log Po/w (WLOGP)	0.07
Log Po/w (MLOGP)	0.65
Log Po/w (SILICOS-IT)	1.32
Consensus Log Po/w	0.67
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.05 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.0

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