N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

C17H26N4O2 — CID 119915057

IUPACN-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N4O2/c1-3-14-4-6-15(7-5-14)19-16(22)12-20(2)13-17(23)21-10-8-18-9-11-21/h4-7,18H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyHOZBSNAUFVRBPJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.55
Rot. Bonds6

About N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (PubChem CID 119915057) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
PubChem CID119915057
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N4O2/c1-3-14-4-6-15(7-5-14)19-16(22)12-20(2)13-17(23)21-10-8-18-9-11-21/h4-7,18H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyHOZBSNAUFVRBPJ-UHFFFAOYSA-N
XLogP0.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
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-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915065

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (CID 119915057) is N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is CCc1ccc(NC(=O)CN(C)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The InChIKey is HOZBSNAUFVRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-14-4-6-15(7-5-14)19-16(22)12-20(2)13-17(23)21-10-8-18-9-11-21/h4-7,18H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 119915057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).