4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide

C17H18FN3O2 — CID 122184996

IUPAC4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
InChIKeyIRAQSPAOBMLQJA-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.89
Rot. Bonds2

About 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 122184996) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID122184996
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)
InChIKeyIRAQSPAOBMLQJA-UHFFFAOYSA-N
XLogP2.89
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide (CID 122184996) is 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is IRAQSPAOBMLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23).
What are the key properties of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122184996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).