(2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H19N3O2 — CID 1245848

IUPAC(2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)o1
InChIInChI=1S/C16H19N3O2/c1-12-11-14(13(2)21-12)16(20)19-9-7-18(8-10-19)15-5-3-4-6-17-15/h3-6,11H,7-10H2,1-2H3
InChIKeyXLCLGIHQFILDPB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1245848) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1245848
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)o1
InChIInChI=1S/C16H19N3O2/c1-12-11-14(13(2)21-12)16(20)19-9-7-18(8-10-19)15-5-3-4-6-17-15/h3-6,11H,7-10H2,1-2H3
InChIKeyXLCLGIHQFILDPB-UHFFFAOYSA-N
XLogP2.25
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1245848) is (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XLCLGIHQFILDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-14(13(2)21-12)16(20)19-9-7-18(8-10-19)15-5-3-4-6-17-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1245848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).