N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide

C25H24FN3O2 — CID 2919984

IUPACN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c26-21-12-10-20(11-13-21)24(30)27-23-9-5-4-8-22(23)25(31)29-16-14-28(15-17-29)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)
InChIKeyXUZSDSXKSSGVBL-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.04
Rot. Bonds5

About N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide

N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide (PubChem CID 2919984) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide
PubChem CID2919984
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c26-21-12-10-20(11-13-21)24(30)27-23-9-5-4-8-22(23)25(31)29-16-14-28(15-17-29)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)
InChIKeyXUZSDSXKSSGVBL-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide (CID 2919984) is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide is O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
The InChIKey is XUZSDSXKSSGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-21-12-10-20(11-13-21)24(30)27-23-9-5-4-8-22(23)25(31)29-16-14-28(15-17-29)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30).
What are the key properties of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide has a molecular weight of 417.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 2919984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).