ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate

C14H26N4O4 — CID 108988281

IUPACethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O4/c1-2-22-14(20)18-7-5-17(6-8-18)13(19)15-3-4-16-9-11-21-12-10-16/h2-12H2,1H3,(H,15,19)
InChIKeyAGIAQCWVAKGCNP-UHFFFAOYSA-N
MW314.39 g/mol
LogP-0.20
Rot. Bonds4

About ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108988281) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate
PubChem CID108988281
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Nameethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O4/c1-2-22-14(20)18-7-5-17(6-8-18)13(19)15-3-4-16-9-11-21-12-10-16/h2-12H2,1H3,(H,15,19)
InChIKeyAGIAQCWVAKGCNP-UHFFFAOYSA-N
XLogP-0.20
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate (CID 108988281) is ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is AGIAQCWVAKGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-2-22-14(20)18-7-5-17(6-8-18)13(19)15-3-4-16-9-11-21-12-10-16/h2-12H2,1H3,(H,15,19).
What are the key properties of ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).