methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate

C11H21N3O3 — CID 43130551

IUPACmethyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-9(14-6-4-12-5-7-14)11(16)13(2)8-10(15)17-3/h9,12H,4-8H2,1-3H3
InChIKeyWFGOHFDRGBZHQZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.09
Rot. Bonds4

About methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate

methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate (PubChem CID 43130551) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
PubChem CID43130551
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-9(14-6-4-12-5-7-14)11(16)13(2)8-10(15)17-3/h9,12H,4-8H2,1-3H3
InChIKeyWFGOHFDRGBZHQZ-UHFFFAOYSA-N
XLogP-1.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 64518291
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
CID 54985265
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 54995362
N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
CID 55174159
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
CID 63691474

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate (CID 43130551) is methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate is COC(=O)CN(C)C(=O)C(C)N1CCNCC1.
What is the InChIKey of methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate?
The InChIKey is WFGOHFDRGBZHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(14-6-4-12-5-7-14)11(16)13(2)8-10(15)17-3/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate?
methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate has a molecular weight of 243.31 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate is sourced from PubChem (CID 43130551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).