N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide

C18H20FN3O3 — CID 17415818

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccco1
InChIInChI=1S/C18H20FN3O3/c19-14-4-1-2-5-15(14)21-9-11-22(12-10-21)17(23)7-8-20-18(24)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24)
InChIKeyFQDVCOQTKPULFL-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.89
Rot. Bonds5

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 17415818) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
PubChem CID17415818
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccco1
InChIInChI=1S/C18H20FN3O3/c19-14-4-1-2-5-15(14)21-9-11-22(12-10-21)17(23)7-8-20-18(24)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24)
InChIKeyFQDVCOQTKPULFL-UHFFFAOYSA-N
XLogP1.89
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide (CID 17415818) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide is O=C(NCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccco1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is FQDVCOQTKPULFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-4-1-2-5-15(14)21-9-11-22(12-10-21)17(23)7-8-20-18(24)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 17415818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).