N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide

C20H24FN3O — CID 6464809

IUPACN-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1
InChIInChI=1S/C20H24FN3O/c21-19-8-4-7-18(13-19)15-23-9-11-24(12-10-23)16-20(25)22-14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,22,25)
InChIKeyXSXYWXQAYNSDFS-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.26
Rot. Bonds6

About N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6464809) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6464809
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1
InChIInChI=1S/C20H24FN3O/c21-19-8-4-7-18(13-19)15-23-9-11-24(12-10-23)16-20(25)22-14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,22,25)
InChIKeyXSXYWXQAYNSDFS-UHFFFAOYSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 6464809) is N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is XSXYWXQAYNSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-8-4-7-18(13-19)15-23-9-11-24(12-10-23)16-20(25)22-14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,22,25).
What are the key properties of N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6464809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).