2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride

C13H17Cl4N3O — CID 119924470

IUPAC2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCN1.Cl
InChIInChI=1S/C13H16Cl3N3O.ClH/c1-8-6-19(3-2-17-8)7-12(20)18-13-10(15)4-9(14)5-11(13)16;/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,20);1H
InChIKeySCFKAAUIYHQDDL-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.30
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride

2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride (PubChem CID 119924470) has the molecular formula C13H17Cl4N3O and a molecular weight of 373.11 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
PubChem CID119924470
Molecular FormulaC13H17Cl4N3O
Molecular Weight373.11 g/mol
Exact Mass371.01
IUPAC Name2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCN1.Cl
InChIInChI=1S/C13H16Cl3N3O.ClH/c1-8-6-19(3-2-17-8)7-12(20)18-13-10(15)4-9(14)5-11(13)16;/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,20);1H
InChIKeySCFKAAUIYHQDDL-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 15087720
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 14722539
2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride (CID 119924470) is 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride is CC1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCN1.Cl.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
The InChIKey is SCFKAAUIYHQDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N3O.ClH/c1-8-6-19(3-2-17-8)7-12(20)18-13-10(15)4-9(14)5-11(13)16;/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,20);1H.
What are the key properties of 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride has a molecular weight of 373.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119924470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).