3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

C13H17ClFN3O2 — CID 119454984

IUPAC3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3O2.ClH/c14-11-3-1-2-10(8-11)13(19)16-9-12(18)17-6-4-15-5-7-17;/h1-3,8,15H,4-7,9H2,(H,16,19);1H
InChIKeyBCFGCHVMOTZWPS-UHFFFAOYSA-N
MW301.75 g/mol
LogP0.41
Rot. Bonds3

About 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119454984) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119454984
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC Name3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3O2.ClH/c14-11-3-1-2-10(8-11)13(19)16-9-12(18)17-6-4-15-5-7-17;/h1-3,8,15H,4-7,9H2,(H,16,19);1H
InChIKeyBCFGCHVMOTZWPS-UHFFFAOYSA-N
XLogP0.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62895950
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736847
3-fluoro-1-[2-[(3-fluorobenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120529785

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119454984) is 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCC(=O)N1CCNCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is BCFGCHVMOTZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2.ClH/c14-11-3-1-2-10(8-11)13(19)16-9-12(18)17-6-4-15-5-7-17;/h1-3,8,15H,4-7,9H2,(H,16,19);1H.
What are the key properties of 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 301.75 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119454984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).