4-fluoro-N-(2-piperazin-1-ylethyl)benzamide

C13H18FN3O — CID 10753244

IUPAC4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c14-12-3-1-11(2-4-12)13(18)16-7-10-17-8-5-15-6-9-17/h1-4,15H,5-10H2,(H,16,18)
InChIKeyCSEZVRZPXNBVSV-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.46
Rot. Bonds4

About 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide

4-fluoro-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 10753244) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID10753244
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c14-12-3-1-11(2-4-12)13(18)16-7-10-17-8-5-15-6-9-17/h1-4,15H,5-10H2,(H,16,18)
InChIKeyCSEZVRZPXNBVSV-UHFFFAOYSA-N
XLogP0.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119445796
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-(3,3-dimethylbut-1-enyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 72568757
4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 59811465
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide (CID 10753244) is 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is CSEZVRZPXNBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-12-3-1-11(2-4-12)13(18)16-7-10-17-8-5-15-6-9-17/h1-4,15H,5-10H2,(H,16,18).
What are the key properties of 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 251.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 10753244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).