2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one

C13H25N3O2 — CID 55122271

IUPAC2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
SMILESCNC(C)(C)C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)11(17)15-6-8-16(9-7-15)12(18)13(3,4)14-5/h10,14H,6-9H2,1-5H3
InChIKeyIMFMAVQBDAZHDG-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.31
Rot. Bonds3

About 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one

2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 55122271) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
PubChem CID55122271
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
SMILESCNC(C)(C)C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)11(17)15-6-8-16(9-7-15)12(18)13(3,4)14-5/h10,14H,6-9H2,1-5H3
InChIKeyIMFMAVQBDAZHDG-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one (CID 55122271) is 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one is CNC(C)(C)C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is IMFMAVQBDAZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)11(17)15-6-8-16(9-7-15)12(18)13(3,4)14-5/h10,14H,6-9H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one?
2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 255.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55122271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).