5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one

C14H20N2O5 — CID 136540030

IUPAC5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one
SMILESCOCCN1CCN(C(=O)c2cc(=O)c(OC)co2)CC1
InChIInChI=1S/C14H20N2O5/c1-19-8-7-15-3-5-16(6-4-15)14(18)12-9-11(17)13(20-2)10-21-12/h9-10H,3-8H2,1-2H3
InChIKeyDJDQNHDJKCZSRB-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.05
Rot. Bonds5

About 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one

5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one (PubChem CID 136540030) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one
PubChem CID136540030
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one
SMILESCOCCN1CCN(C(=O)c2cc(=O)c(OC)co2)CC1
InChIInChI=1S/C14H20N2O5/c1-19-8-7-15-3-5-16(6-4-15)14(18)12-9-11(17)13(20-2)10-21-12/h9-10H,3-8H2,1-2H3
InChIKeyDJDQNHDJKCZSRB-UHFFFAOYSA-N
XLogP0.05
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one (CID 136540030) is 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one is COCCN1CCN(C(=O)c2cc(=O)c(OC)co2)CC1.
What is the InChIKey of 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one?
The InChIKey is DJDQNHDJKCZSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-19-8-7-15-3-5-16(6-4-15)14(18)12-9-11(17)13(20-2)10-21-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one?
5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one has a molecular weight of 296.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 136540030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).