3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one

C18H21N3O3 — CID 75387318

IUPAC3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C(=O)c3ccncc3)CC2)o1
InChIInChI=1S/C18H21N3O3/c1-14-2-3-16(24-14)4-5-17(22)20-10-12-21(13-11-20)18(23)15-6-8-19-9-7-15/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyGWRBBCNHVAEGRG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.90
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one

3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 75387318) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID75387318
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C(=O)c3ccncc3)CC2)o1
InChIInChI=1S/C18H21N3O3/c1-14-2-3-16(24-14)4-5-17(22)20-10-12-21(13-11-20)18(23)15-6-8-19-9-7-15/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyGWRBBCNHVAEGRG-UHFFFAOYSA-N
XLogP1.90
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one (CID 75387318) is 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one is Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccncc3)CC2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is GWRBBCNHVAEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-2-3-16(24-14)4-5-17(22)20-10-12-21(13-11-20)18(23)15-6-8-19-9-7-15/h2-3,6-9H,4-5,10-13H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one?
3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 327.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75387318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).