4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide

C25H31F2N3O2 — CID 86901785

IUPAC4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C25H31F2N3O2/c26-21-6-3-5-20(19-21)25(9-17-32-18-10-25)24(31)28-11-4-12-29-13-15-30(16-14-29)23-8-2-1-7-22(23)27/h1-3,5-8,19H,4,9-18H2,(H,28,31)
InChIKeyMFUFASJKVNHPQU-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.34
Rot. Bonds7

About 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide (PubChem CID 86901785) has the molecular formula C25H31F2N3O2 and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide
PubChem CID86901785
Molecular FormulaC25H31F2N3O2
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C25H31F2N3O2/c26-21-6-3-5-20(19-21)25(9-17-32-18-10-25)24(31)28-11-4-12-29-13-15-30(16-14-29)23-8-2-1-7-22(23)27/h1-3,5-8,19H,4,9-18H2,(H,28,31)
InChIKeyMFUFASJKVNHPQU-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide (CID 86901785) is 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide?
The InChIKey is MFUFASJKVNHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O2/c26-21-6-3-5-20(19-21)25(9-17-32-18-10-25)24(31)28-11-4-12-29-13-15-30(16-14-29)23-8-2-1-7-22(23)27/h1-3,5-8,19H,4,9-18H2,(H,28,31).
What are the key properties of 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide is sourced from PubChem (CID 86901785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).