5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

C21H28N4O — CID 120647867

IUPAC5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-16-3-8-19(22)13-20(16)21(26)23-14-17-4-6-18(7-5-17)15-25-11-9-24(2)10-12-25/h3-8,13H,9-12,14-15,22H2,1-2H3,(H,23,26)
InChIKeySMQXVHMSOFKJEW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.25
Rot. Bonds5

About 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 120647867) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID120647867
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-16-3-8-19(22)13-20(16)21(26)23-14-17-4-6-18(7-5-17)15-25-11-9-24(2)10-12-25/h3-8,13H,9-12,14-15,22H2,1-2H3,(H,23,26)
InChIKeySMQXVHMSOFKJEW-UHFFFAOYSA-N
XLogP2.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 120641589
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
CID 120626034
3-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;trihydrochloride
CID 119901627
5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 56552234

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (CID 120647867) is 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is Cc1ccc(N)cc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is SMQXVHMSOFKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-3-8-19(22)13-20(16)21(26)23-14-17-4-6-18(7-5-17)15-25-11-9-24(2)10-12-25/h3-8,13H,9-12,14-15,22H2,1-2H3,(H,23,26).
What are the key properties of 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 120647867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).