N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide

C20H22FN3O2 — CID 110397771

IUPACN-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c21-18-8-4-7-17(15-18)19(25)22-9-10-23-11-13-24(14-12-23)20(26)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,22,25)
InChIKeyLGTJIQZTCLVIHY-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide (PubChem CID 110397771) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
PubChem CID110397771
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c21-18-8-4-7-17(15-18)19(25)22-9-10-23-11-13-24(14-12-23)20(26)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,22,25)
InChIKeyLGTJIQZTCLVIHY-UHFFFAOYSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide
CID 3935869
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide (CID 110397771) is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide is O=C(NCCN1CCN(C(=O)c2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide?
The InChIKey is LGTJIQZTCLVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-18-8-4-7-17(15-18)19(25)22-9-10-23-11-13-24(14-12-23)20(26)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,22,25).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide?
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide has a molecular weight of 355.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 110397771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).