N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide

C14H20FN3O2 — CID 104917543

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCN1CCN(C)C(CNC(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C14H20FN3O2/c1-17-6-7-18(2)10(9-17)8-16-14(20)13-11(15)4-3-5-12(13)19/h3-5,10,19H,6-9H2,1-2H3,(H,16,20)
InChIKeyRGUGXEPONGHHSO-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.51
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 104917543) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID104917543
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCN1CCN(C)C(CNC(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C14H20FN3O2/c1-17-6-7-18(2)10(9-17)8-16-14(20)13-11(15)4-3-5-12(13)19/h3-5,10,19H,6-9H2,1-2H3,(H,16,20)
InChIKeyRGUGXEPONGHHSO-UHFFFAOYSA-N
XLogP0.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 131902065
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide (CID 104917543) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide is CN1CCN(C)C(CNC(=O)c2c(O)cccc2F)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is RGUGXEPONGHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-17-6-7-18(2)10(9-17)8-16-14(20)13-11(15)4-3-5-12(13)19/h3-5,10,19H,6-9H2,1-2H3,(H,16,20).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 281.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).