methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate

C13H24N2O3 — CID 113221897

IUPACmethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)12(17)15-9-7-14(8-10-15)6-5-11(16)18-4/h5-10H2,1-4H3
InChIKeyACCYXWVBUBKPGO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds3

About methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate

methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate (PubChem CID 113221897) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
PubChem CID113221897
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)12(17)15-9-7-14(8-10-15)6-5-11(16)18-4/h5-10H2,1-4H3
InChIKeyACCYXWVBUBKPGO-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 78918272
methyl 3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 113221901
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
methyl 4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]butanoate
CID 152602216
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
methyl 3-[4-(4-chlorobutanoyl)piperazin-1-yl]propanoate
CID 115534236

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate (CID 113221897) is methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate?
The InChIKey is ACCYXWVBUBKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)12(17)15-9-7-14(8-10-15)6-5-11(16)18-4/h5-10H2,1-4H3.
What are the key properties of methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate?
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 113221897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).