4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide

C15H23FN4O — CID 63265639

IUPAC4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
SMILESCN(CCN1CCNCC1)Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C15H23FN4O/c1-19(8-9-20-6-4-18-5-7-20)11-13-10-12(15(17)21)2-3-14(13)16/h2-3,10,18H,4-9,11H2,1H3,(H2,17,21)
InChIKeyZQKGKCWZUPLPEV-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.26
Rot. Bonds6

About 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide

4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide (PubChem CID 63265639) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
PubChem CID63265639
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
SMILESCN(CCN1CCNCC1)Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C15H23FN4O/c1-19(8-9-20-6-4-18-5-7-20)11-13-10-12(15(17)21)2-3-14(13)16/h2-3,10,18H,4-9,11H2,1H3,(H2,17,21)
InChIKeyZQKGKCWZUPLPEV-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 24701378
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
3-fluoro-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 63265350
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
3-fluoro-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207857
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
3-[[bis(2-hydroxyethyl)amino]methyl]-4-fluorobenzamide
CID 62020933
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
CID 62015149
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide (CID 63265639) is 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide is CN(CCN1CCNCC1)Cc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide?
The InChIKey is ZQKGKCWZUPLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19(8-9-20-6-4-18-5-7-20)11-13-10-12(15(17)21)2-3-14(13)16/h2-3,10,18H,4-9,11H2,1H3,(H2,17,21).
What are the key properties of 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide?
4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide has a molecular weight of 294.37 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide is sourced from PubChem (CID 63265639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).