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

C18H20FN3O — CID 732316

IUPAC4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-6-8-17(9-7-16)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)
InChIKeyYHSLMWMJILJYMM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.18
Rot. Bonds3

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

4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 732316) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID732316
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-6-8-17(9-7-16)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)
InChIKeyYHSLMWMJILJYMM-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 732316) is 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is YHSLMWMJILJYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-6-8-17(9-7-16)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 732316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).