N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

C21H23FN4O3 — CID 36875811

IUPACN-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H23FN4O3/c22-18-8-6-17(7-9-18)20(28)26-12-10-25(11-13-26)15-19(27)24-21(29)23-14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,23,24,27,29)
InChIKeyKXFFYAURWMCCFA-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.61
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 36875811) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID36875811
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H23FN4O3/c22-18-8-6-17(7-9-18)20(28)26-12-10-25(11-13-26)15-19(27)24-21(29)23-14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,23,24,27,29)
InChIKeyKXFFYAURWMCCFA-UHFFFAOYSA-N
XLogP1.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 36875873
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 72723461
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 17441066
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55495370
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (CID 36875811) is N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is KXFFYAURWMCCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c22-18-8-6-17(7-9-18)20(28)26-12-10-25(11-13-26)15-19(27)24-21(29)23-14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,23,24,27,29).
What are the key properties of N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36875811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).