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

C17H20FN3O2 — CID 42266612

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccco1
InChIInChI=1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)21-11-9-20(10-12-21)8-7-19-17(22)16-2-1-13-23-16/h1-6,13H,7-12H2,(H,19,22)
InChIKeyIGJHUSUXLRQWCY-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.97
Rot. Bonds5

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 42266612) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID42266612
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccco1
InChIInChI=1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)21-11-9-20(10-12-21)8-7-19-17(22)16-2-1-13-23-16/h1-6,13H,7-12H2,(H,19,22)
InChIKeyIGJHUSUXLRQWCY-UHFFFAOYSA-N
XLogP1.97
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide (CID 42266612) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is IGJHUSUXLRQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)21-11-9-20(10-12-21)8-7-19-17(22)16-2-1-13-23-16/h1-6,13H,7-12H2,(H,19,22).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42266612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).