2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide

C18H28N4O2 — CID 119914970

IUPAC2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C18H28N4O2/c1-14(2)15-5-4-6-16(11-15)20-17(23)12-21(3)13-18(24)22-9-7-19-8-10-22/h4-6,11,14,19H,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyXEDIMEZZFBNRAE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.11
Rot. Bonds6

About 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 119914970) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID119914970
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C18H28N4O2/c1-14(2)15-5-4-6-16(11-15)20-17(23)12-21(3)13-18(24)22-9-7-19-8-10-22/h4-6,11,14,19H,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyXEDIMEZZFBNRAE-UHFFFAOYSA-N
XLogP1.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
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-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119912537
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide (CID 119914970) is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN(C)CC(=O)N2CCNCC2)c1.
What is the InChIKey of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is XEDIMEZZFBNRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)15-5-4-6-16(11-15)20-17(23)12-21(3)13-18(24)22-9-7-19-8-10-22/h4-6,11,14,19H,7-10,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.11, 6 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-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 119914970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).