N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

C11H21N3O2 — CID 60641709

IUPACN-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H21N3O2/c1-9(2)11(16)14-6-4-13(5-7-14)8-10(15)12-3/h9H,4-8H2,1-3H3,(H,12,15)
InChIKeyKDDBUBZOBFEYGW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.47
Rot. Bonds3

About N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 60641709) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
PubChem CID60641709
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H21N3O2/c1-9(2)11(16)14-6-4-13(5-7-14)8-10(15)12-3/h9H,4-8H2,1-3H3,(H,12,15)
InChIKeyKDDBUBZOBFEYGW-UHFFFAOYSA-N
XLogP-0.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 78803750
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51171979
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62729157

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (CID 60641709) is N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is KDDBUBZOBFEYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(2)11(16)14-6-4-13(5-7-14)8-10(15)12-3/h9H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60641709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).