2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H29N3O2 — CID 63611158

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCN1CCN(CC(=O)NC(C(C)=O)C(C)C)CC1C
InChIInChI=1S/C15H29N3O2/c1-6-18-8-7-17(9-12(18)4)10-14(20)16-15(11(2)3)13(5)19/h11-12,15H,6-10H2,1-5H3,(H,16,20)
InChIKeyPRCHQTRETRJTRY-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.74
Rot. Bonds6

About 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 63611158) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID63611158
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCN1CCN(CC(=O)NC(C(C)=O)C(C)C)CC1C
InChIInChI=1S/C15H29N3O2/c1-6-18-8-7-17(9-12(18)4)10-14(20)16-15(11(2)3)13(5)19/h11-12,15H,6-10H2,1-5H3,(H,16,20)
InChIKeyPRCHQTRETRJTRY-UHFFFAOYSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79119052
N-(2-methyl-4-oxopentan-3-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 43234442
N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882690
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
2-(3-methoxypiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113231236
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793090
ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
2-(4-tert-butylpiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62091095
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63971556
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55541672

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 63611158) is 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CCN1CCN(CC(=O)NC(C(C)=O)C(C)C)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is PRCHQTRETRJTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-18-8-7-17(9-12(18)4)10-14(20)16-15(11(2)3)13(5)19/h11-12,15H,6-10H2,1-5H3,(H,16,20).
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 283.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 63611158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).