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

C13H18FN3O — CID 6467730

IUPAC2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FN3O/c14-12-3-1-11(2-4-12)9-16-5-7-17(8-6-16)10-13(15)18/h1-4H,5-10H2,(H2,15,18)
InChIKeyIZKFQBWHBXYJLC-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.43
Rot. Bonds4

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

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6467730) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6467730
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FN3O/c14-12-3-1-11(2-4-12)9-16-5-7-17(8-6-16)10-13(15)18/h1-4H,5-10H2,(H2,15,18)
InChIKeyIZKFQBWHBXYJLC-UHFFFAOYSA-N
XLogP0.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide
CID 139542607
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-iodophenyl)propan-2-one;dihydrochloride
CID 67730424
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342536
2-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 47078406
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol
CID 146492058
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
2-[4-[[4-(2-cyclohexa-1,5-dien-1-ylethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 139542624

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 6467730) is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is IZKFQBWHBXYJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-12-3-1-11(2-4-12)9-16-5-7-17(8-6-16)10-13(15)18/h1-4H,5-10H2,(H2,15,18).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 251.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6467730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).