ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate

C11H20N2O4 — CID 113265828

IUPACethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)C(C)OC
InChIInChI=1S/C11H20N2O4/c1-4-17-11(15)9-7-12-5-6-13(9)10(14)8(2)16-3/h8-9,12H,4-7H2,1-3H3
InChIKeyDDCLNXSEKQBNGL-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.62
Rot. Bonds4

About ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate

ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate (PubChem CID 113265828) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
PubChem CID113265828
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)C(C)OC
InChIInChI=1S/C11H20N2O4/c1-4-17-11(15)9-7-12-5-6-13(9)10(14)8(2)16-3/h8-9,12H,4-7H2,1-3H3
InChIKeyDDCLNXSEKQBNGL-UHFFFAOYSA-N
XLogP-0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369
ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
CID 79162464
ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
CID 107180851
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631
ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
CID 114031288
2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 130815989
ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate
CID 103807377
methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate
CID 154651315
ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate
CID 107449520

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate (CID 113265828) is ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(=O)C(C)OC.
What is the InChIKey of ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate?
The InChIKey is DDCLNXSEKQBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-17-11(15)9-7-12-5-6-13(9)10(14)8(2)16-3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate?
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate is sourced from PubChem (CID 113265828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).