2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C18H29ClN4O2 — CID 119914877

IUPAC2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-13-9-14(2)18(15(3)10-13)20-16(23)11-21(4)12-17(24)22-7-5-19-6-8-22;/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,23);1H
InChIKeyBOYZMOJZLKRCSO-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.34
Rot. Bonds5

About 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 119914877) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID119914877
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-13-9-14(2)18(15(3)10-13)20-16(23)11-21(4)12-17(24)22-7-5-19-6-8-22;/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,23);1H
InChIKeyBOYZMOJZLKRCSO-UHFFFAOYSA-N
XLogP1.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78860531
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119915081
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915065
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 11930399
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 119914877) is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)CC(=O)N2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is BOYZMOJZLKRCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-13-9-14(2)18(15(3)10-13)20-16(23)11-21(4)12-17(24)22-7-5-19-6-8-22;/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,23);1H.
What are the key properties of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119914877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).