[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

C18H21N3O3 — CID 71967719

IUPAC[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C
InChIInChI=1S/C18H21N3O3/c1-3-15-13(2)12-16(24-15)18(23)21-10-8-20(9-11-21)17(22)14-4-6-19-7-5-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyFLSLAXJQCGXICS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.14
Rot. Bonds3

About [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 71967719) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID71967719
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C
InChIInChI=1S/C18H21N3O3/c1-3-15-13(2)12-16(24-15)18(23)21-10-8-20(9-11-21)17(22)14-4-6-19-7-5-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyFLSLAXJQCGXICS-UHFFFAOYSA-N
XLogP2.14
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 71967719) is [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is CCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C.
What is the InChIKey of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is FLSLAXJQCGXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-15-13(2)12-16(24-15)18(23)21-10-8-20(9-11-21)17(22)14-4-6-19-7-5-14/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 71967719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).