1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone

C13H20N2O2 — CID 104651522

IUPAC1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone
SMILESCCCN1CCN(c2ccc(C(C)=O)o2)CC1
InChIInChI=1S/C13H20N2O2/c1-3-6-14-7-9-15(10-8-14)13-5-4-12(17-13)11(2)16/h4-5H,3,6-10H2,1-2H3
InChIKeyVNGRIXRWDWVHAE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds4

About 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone

1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone (PubChem CID 104651522) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone
PubChem CID104651522
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone
SMILESCCCN1CCN(c2ccc(C(C)=O)o2)CC1
InChIInChI=1S/C13H20N2O2/c1-3-6-14-7-9-15(10-8-14)13-5-4-12(17-13)11(2)16/h4-5H,3,6-10H2,1-2H3
InChIKeyVNGRIXRWDWVHAE-UHFFFAOYSA-N
XLogP2.01
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone (CID 104651522) is 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone is CCCN1CCN(c2ccc(C(C)=O)o2)CC1.
What is the InChIKey of 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone?
The InChIKey is VNGRIXRWDWVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-14-7-9-15(10-8-14)13-5-4-12(17-13)11(2)16/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone?
1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 104651522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).