ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate

C14H18N2O6 — CID 52899706

IUPACethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(=O)c(OC)co2)CC1
InChIInChI=1S/C14H18N2O6/c1-3-21-14(19)16-6-4-15(5-7-16)13(18)11-8-10(17)12(20-2)9-22-11/h8-9H,3-7H2,1-2H3
InChIKeyMGNKOIMKDDZCCS-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.56
Rot. Bonds3

About ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate (PubChem CID 52899706) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate
PubChem CID52899706
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Nameethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(=O)c(OC)co2)CC1
InChIInChI=1S/C14H18N2O6/c1-3-21-14(19)16-6-4-15(5-7-16)13(18)11-8-10(17)12(20-2)9-22-11/h8-9H,3-7H2,1-2H3
InChIKeyMGNKOIMKDDZCCS-UHFFFAOYSA-N
XLogP0.56
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate (CID 52899706) is ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OC)co2)CC1.
What is the InChIKey of ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is MGNKOIMKDDZCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-3-21-14(19)16-6-4-15(5-7-16)13(18)11-8-10(17)12(20-2)9-22-11/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methoxy-4-oxopyran-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 52899706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).