4-fluoro-3-(piperazin-1-ylmethyl)benzamide

C12H16FN3O — CID 24701378

IUPAC4-fluoro-3-(piperazin-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(F)c(CN2CCNCC2)c1
InChIInChI=1S/C12H16FN3O/c13-11-2-1-9(12(14)17)7-10(11)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2,(H2,14,17)
InChIKeyIZMGCJUAOSYIHE-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.33
Rot. Bonds3

About 4-fluoro-3-(piperazin-1-ylmethyl)benzamide

4-fluoro-3-(piperazin-1-ylmethyl)benzamide (PubChem CID 24701378) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-fluoro-3-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(piperazin-1-ylmethyl)benzamide
PubChem CID24701378
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-fluoro-3-(piperazin-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(F)c(CN2CCNCC2)c1
InChIInChI=1S/C12H16FN3O/c13-11-2-1-9(12(14)17)7-10(11)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2,(H2,14,17)
InChIKeyIZMGCJUAOSYIHE-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-carbamoyl-2-fluorophenyl)methyl]piperazin-1-yl]acetic acid
CID 43521874
4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
CID 63265639
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
4-fluoro-3-(piperazin-1-ylmethyl)benzaldehyde
CID 105479101
1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 43440688
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[(4-ethylpiperazin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067187
4-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452202
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-(piperazin-1-ylmethyl)benzamide (CID 24701378) is 4-fluoro-3-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-(piperazin-1-ylmethyl)benzamide is NC(=O)c1ccc(F)c(CN2CCNCC2)c1.
What is the InChIKey of 4-fluoro-3-(piperazin-1-ylmethyl)benzamide?
The InChIKey is IZMGCJUAOSYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-11-2-1-9(12(14)17)7-10(11)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2,(H2,14,17).
What are the key properties of 4-fluoro-3-(piperazin-1-ylmethyl)benzamide?
4-fluoro-3-(piperazin-1-ylmethyl)benzamide has a molecular weight of 237.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 24701378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).