N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C18H20FN3O3 — CID 3243606

IUPACN-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c19-14-3-5-15(6-4-14)20-17(23)7-8-21-9-11-22(12-10-21)18(24)16-2-1-13-25-16/h1-6,13H,7-12H2,(H,20,23)
InChIKeyLZPDNMVATLPANN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.21
Rot. Bonds5

About N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 3243606) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID3243606
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c19-14-3-5-15(6-4-14)20-17(23)7-8-21-9-11-22(12-10-21)18(24)16-2-1-13-25-16/h1-6,13H,7-12H2,(H,20,23)
InChIKeyLZPDNMVATLPANN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 3243606) is N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is LZPDNMVATLPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-3-5-15(6-4-14)20-17(23)7-8-21-9-11-22(12-10-21)18(24)16-2-1-13-25-16/h1-6,13H,7-12H2,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 3243606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).