4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one

C17H19N3O4 — CID 139023042

IUPAC4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2=O)ccn1
InChIInChI=1S/C17H19N3O4/c1-11-8-14(12(2)24-11)17(22)19-6-7-20(16(21)10-19)13-4-5-18-15(9-13)23-3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyLXBUFZWPFFEFGD-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.79
Rot. Bonds3

About 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one

4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one (PubChem CID 139023042) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
PubChem CID139023042
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2=O)ccn1
InChIInChI=1S/C17H19N3O4/c1-11-8-14(12(2)24-11)17(22)19-6-7-20(16(21)10-19)13-4-5-18-15(9-13)23-3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyLXBUFZWPFFEFGD-UHFFFAOYSA-N
XLogP1.79
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one (CID 139023042) is 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one is COc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2=O)ccn1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The InChIKey is LXBUFZWPFFEFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-8-14(12(2)24-11)17(22)19-6-7-20(16(21)10-19)13-4-5-18-15(9-13)23-3/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one has a molecular weight of 329.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one is sourced from PubChem (CID 139023042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).