ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate

C12H24N4O3 — CID 63896961

IUPACethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C12H24N4O3/c1-4-19-11(17)8-14-12(18)13-7-10-9-15(2)5-6-16(10)3/h10H,4-9H2,1-3H3,(H2,13,14,18)
InChIKeyCGDDSGHIAAXLDK-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.91
Rot. Bonds5

About ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate

ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate (PubChem CID 63896961) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
PubChem CID63896961
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Nameethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C12H24N4O3/c1-4-19-11(17)8-14-12(18)13-7-10-9-15(2)5-6-16(10)3/h10H,4-9H2,1-3H3,(H2,13,14,18)
InChIKeyCGDDSGHIAAXLDK-UHFFFAOYSA-N
XLogP-0.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate (CID 63896961) is ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCC1CN(C)CCN1C.
What is the InChIKey of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate?
The InChIKey is CGDDSGHIAAXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-4-19-11(17)8-14-12(18)13-7-10-9-15(2)5-6-16(10)3/h10H,4-9H2,1-3H3,(H2,13,14,18).
What are the key properties of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate?
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate has a molecular weight of 272.35 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 63896961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).