ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate

C13H16N2O5 — CID 110697483

IUPACethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C13H16N2O5/c1-2-19-13(18)15-7-5-14(6-8-15)12(17)10-3-4-11(16)20-9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyPNAIPLOZURZKBZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.55
Rot. Bonds2

About ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate (PubChem CID 110697483) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
PubChem CID110697483
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Nameethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C13H16N2O5/c1-2-19-13(18)15-7-5-14(6-8-15)12(17)10-3-4-11(16)20-9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyPNAIPLOZURZKBZ-UHFFFAOYSA-N
XLogP0.55
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
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ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
4-(6-oxopyran-3-carbonyl)piperazine-1-carbaldehyde
CID 110697449
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
CID 59382289
ethyl 4-(9-oxofluorene-2-carbonyl)piperazine-1-carboxylate
CID 17446072
ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
CID 51298973

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate (CID 110697483) is ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(=O)oc2)CC1.
What is the InChIKey of ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is PNAIPLOZURZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-19-13(18)15-7-5-14(6-8-15)12(17)10-3-4-11(16)20-9-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110697483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).