N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride

C15H24ClN3O — CID 119924667

IUPACN-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CN2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12-3-5-14(6-4-12)9-17-15(19)11-18-8-7-16-13(2)10-18;/h3-6,13,16H,7-11H2,1-2H3,(H,17,19);1H
InChIKeyXAOFNQLEFFBMGO-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.33
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride

N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119924667) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119924667
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CN2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12-3-5-14(6-4-12)9-17-15(19)11-18-8-7-16-13(2)10-18;/h3-6,13,16H,7-11H2,1-2H3,(H,17,19);1H
InChIKeyXAOFNQLEFFBMGO-UHFFFAOYSA-N
XLogP1.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119924667) is N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride is Cc1ccc(CNC(=O)CN2CCNC(C)C2)cc1.Cl.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is XAOFNQLEFFBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-12-3-5-14(6-4-12)9-17-15(19)11-18-8-7-16-13(2)10-18;/h3-6,13,16H,7-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119924667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).