1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone

C20H24N2O3 — CID 4787858

IUPAC1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1
InChIInChI=1S/C20H24N2O3/c1-3-10-21-11-13-22(14-12-21)20(24)19-9-8-18(25-19)17-6-4-16(5-7-17)15(2)23/h4-9H,3,10-14H2,1-2H3
InChIKeyADWDRACAMQHOSQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds5

About 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone

1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone (PubChem CID 4787858) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone
PubChem CID4787858
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1
InChIInChI=1S/C20H24N2O3/c1-3-10-21-11-13-22(14-12-21)20(24)19-9-8-18(25-19)17-6-4-16(5-7-17)15(2)23/h4-9H,3,10-14H2,1-2H3
InChIKeyADWDRACAMQHOSQ-UHFFFAOYSA-N
XLogP3.32
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone (CID 4787858) is 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone is CCCN1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1.
What is the InChIKey of 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone?
The InChIKey is ADWDRACAMQHOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-10-21-11-13-22(14-12-21)20(24)19-9-8-18(25-19)17-6-4-16(5-7-17)15(2)23/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone?
1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-propylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone is sourced from PubChem (CID 4787858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).