N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide

Name: N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
SKU: PI262368309
Rating: 5 (1 reviews)

Cat. No.: PI262368309

Product Details Other Identifiers Computed Properties

CAS	262368-30-9
Purity	97%
Molecular Formula	C14H22N4O
Molecular Weight	262.35
Molar Refractivity	85.6

Pubchem ID	21927707
InChI Key	LBWNQLVDYPNHAV-UHFFFAOYSA-N
MDL Number	MFCD12457658

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	52.81 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.5
Log Po/w (iLOGP)	2.2
Log Po/w (XLOGP3)	0.48
Log Po/w (WLOGP)	-0.27
Log Po/w (MLOGP)	0.57
Log Po/w (SILICOS-IT)	0.14
Consensus Log Po/w	0.62
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.56 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	1.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	1.93

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