2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride

C17H28ClN3O — CID 119923943

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CN1CC(C)NC(C)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13-7-5-6-8-16(13)11-19(4)17(21)12-20-9-14(2)18-15(3)10-20;/h5-8,14-15,18H,9-12H2,1-4H3;1H
InChIKeyLLOSBOUHIKEKNZ-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.06
Rot. Bonds4

About 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride

2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride (PubChem CID 119923943) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
PubChem CID119923943
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CN1CC(C)NC(C)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13-7-5-6-8-16(13)11-19(4)17(21)12-20-9-14(2)18-15(3)10-20;/h5-8,14-15,18H,9-12H2,1-4H3;1H
InChIKeyLLOSBOUHIKEKNZ-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120663847
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129035
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 119927875
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride (CID 119923943) is 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride is Cc1ccccc1CN(C)C(=O)CN1CC(C)NC(C)C1.Cl.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is LLOSBOUHIKEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-13-7-5-6-8-16(13)11-19(4)17(21)12-20-9-14(2)18-15(3)10-20;/h5-8,14-15,18H,9-12H2,1-4H3;1H.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119923943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).