N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide

C18H27N3O2 — CID 113169937

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H27N3O2/c1-13-10-14(2)18(15(3)11-13)21(16(4)22)12-17(23)20-8-6-19(5)7-9-20/h10-11H,6-9,12H2,1-5H3
InChIKeyRMUJCOFRSHTMFZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.74
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113169937) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113169937
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H27N3O2/c1-13-10-14(2)18(15(3)11-13)21(16(4)22)12-17(23)20-8-6-19(5)7-9-20/h10-11H,6-9,12H2,1-5H3
InChIKeyRMUJCOFRSHTMFZ-UHFFFAOYSA-N
XLogP1.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113170254
N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178154
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113169422
ethyl 4-[2-(N-acetyl-3,5-dimethylanilino)acetyl]piperazine-1-carboxylate
CID 113168491
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113174831
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113181233
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 113169937) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(CC(=O)N1CCN(C)CC1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is RMUJCOFRSHTMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-10-14(2)18(15(3)11-13)21(16(4)22)12-17(23)20-8-6-19(5)7-9-20/h10-11H,6-9,12H2,1-5H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113169937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).