2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide

C15H23N3O — CID 63874471

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H23N3O/c1-11-4-6-14(7-5-11)17-15(19)10-18-8-12(2)16-13(3)9-18/h4-7,12-13,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyLZYTULRNBZSBQV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.62
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide

2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 63874471) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID63874471
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H23N3O/c1-11-4-6-14(7-5-11)17-15(19)10-18-8-12(2)16-13(3)9-18/h4-7,12-13,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyLZYTULRNBZSBQV-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171998342
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119923981
2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872002
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide (CID 63874471) is 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CC(C)NC(C)C2)cc1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is LZYTULRNBZSBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-6-14(7-5-11)17-15(19)10-18-8-12(2)16-13(3)9-18/h4-7,12-13,16H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 63874471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).