1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one

C18H25N3O2 — CID 71993139

IUPAC1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCCc1ccc(C2CC(C)CCN2C(=O)C(C)n2ccnc2)o1
InChIInChI=1S/C18H25N3O2/c1-4-15-5-6-17(23-15)16-11-13(2)7-9-21(16)18(22)14(3)20-10-8-19-12-20/h5-6,8,10,12-14,16H,4,7,9,11H2,1-3H3
InChIKeyPPBJXTHUINBKFI-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one

1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 71993139) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID71993139
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCCc1ccc(C2CC(C)CCN2C(=O)C(C)n2ccnc2)o1
InChIInChI=1S/C18H25N3O2/c1-4-15-5-6-17(23-15)16-11-13(2)7-9-21(16)18(22)14(3)20-10-8-19-12-20/h5-6,8,10,12-14,16H,4,7,9,11H2,1-3H3
InChIKeyPPBJXTHUINBKFI-UHFFFAOYSA-N
XLogP3.60
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one (CID 71993139) is 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one is CCc1ccc(C2CC(C)CCN2C(=O)C(C)n2ccnc2)o1.
What is the InChIKey of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is PPBJXTHUINBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-15-5-6-17(23-15)16-11-13(2)7-9-21(16)18(22)14(3)20-10-8-19-12-20/h5-6,8,10,12-14,16H,4,7,9,11H2,1-3H3.
What are the key properties of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 315.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 71993139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).