2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide

C23H28FN3O2 — CID 86923486

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O2/c1-16-6-4-5-7-21(16)17(2)25-22(28)18(3)26-12-14-27(15-13-26)23(29)19-8-10-20(24)11-9-19/h4-11,17-18H,12-15H2,1-3H3,(H,25,28)
InChIKeyTXNXOKAJIYXQKO-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.16
Rot. Bonds5

About 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 86923486) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID86923486
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O2/c1-16-6-4-5-7-21(16)17(2)25-22(28)18(3)26-12-14-27(15-13-26)23(29)19-8-10-20(24)11-9-19/h4-11,17-18H,12-15H2,1-3H3,(H,25,28)
InChIKeyTXNXOKAJIYXQKO-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112811721
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
CID 9441563
N-[1-(3-bromo-2-methylphenyl)ethyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 167808548
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86879409
(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076086
N-[1-(2-methylphenyl)ethyl]-2-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936900
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone
CID 110798390
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide (CID 86923486) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1C(C)NC(=O)C(C)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is TXNXOKAJIYXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16-6-4-5-7-21(16)17(2)25-22(28)18(3)26-12-14-27(15-13-26)23(29)19-8-10-20(24)11-9-19/h4-11,17-18H,12-15H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 397.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 86923486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).