2-fluoro-N-methyl-4-piperazin-1-ylbenzamide

C12H16FN3O — CID 133083293

IUPAC2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
SMILESCNC(=O)c1ccc(N2CCNCC2)cc1F
InChIInChI=1S/C12H16FN3O/c1-14-12(17)10-3-2-9(8-11(10)13)16-6-4-15-5-7-16/h2-3,8,15H,4-7H2,1H3,(H,14,17)
InChIKeyIASUFRKFRACNAN-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.59
Rot. Bonds2

About 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide

2-fluoro-N-methyl-4-piperazin-1-ylbenzamide (PubChem CID 133083293) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
PubChem CID133083293
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
SMILESCNC(=O)c1ccc(N2CCNCC2)cc1F
InChIInChI=1S/C12H16FN3O/c1-14-12(17)10-3-2-9(8-11(10)13)16-6-4-15-5-7-16/h2-3,8,15H,4-7H2,1H3,(H,14,17)
InChIKeyIASUFRKFRACNAN-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 71081149
1-(3,4-difluorophenyl)piperazine
CID 2783122
N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 22363059
1-(3-fluoro-4-methylsulfonylphenyl)piperazine
CID 69037581
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
4-N-[4-[(2-fluoro-4-pyrrolidin-1-ylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424089
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
N-[7,8-dimethyl-1-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepin-3-yl]-2-fluoro-4-piperazin-1-ylbenzamide
CID 123877533
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide
CID 126622011

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide?
The IUPAC name of 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide (CID 133083293) is 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide is CNC(=O)c1ccc(N2CCNCC2)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide?
The InChIKey is IASUFRKFRACNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-14-12(17)10-3-2-9(8-11(10)13)16-6-4-15-5-7-16/h2-3,8,15H,4-7H2,1H3,(H,14,17).
What are the key properties of 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide?
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide has a molecular weight of 237.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 133083293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).