5-(4-ethylpiperazine-1-carbonyl)pyran-2-one

C12H16N2O3 — CID 110697448

IUPAC5-(4-ethylpiperazine-1-carbonyl)pyran-2-one
SMILESCCN1CCN(C(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C12H16N2O3/c1-2-13-5-7-14(8-6-13)12(16)10-3-4-11(15)17-9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyDYRROGXRVOYISC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.42
Rot. Bonds2

About 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one

5-(4-ethylpiperazine-1-carbonyl)pyran-2-one (PubChem CID 110697448) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)pyran-2-one
PubChem CID110697448
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)pyran-2-one
SMILESCCN1CCN(C(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C12H16N2O3/c1-2-13-5-7-14(8-6-13)12(16)10-3-4-11(15)17-9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyDYRROGXRVOYISC-UHFFFAOYSA-N
XLogP0.42
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one (CID 110697448) is 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one is CCN1CCN(C(=O)c2ccc(=O)oc2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one?
The InChIKey is DYRROGXRVOYISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-13-5-7-14(8-6-13)12(16)10-3-4-11(15)17-9-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one?
5-(4-ethylpiperazine-1-carbonyl)pyran-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 110697448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).