2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H23FN4O3 — CID 9021927

IUPAC2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN4O3/c1-15(27)23-19-4-2-3-16(13-19)21(29)26-11-9-25(10-12-26)14-20(28)24-18-7-5-17(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyWCBGLHUDIMDAON-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 9021927) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID9021927
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN4O3/c1-15(27)23-19-4-2-3-16(13-19)21(29)26-11-9-25(10-12-26)14-20(28)24-18-7-5-17(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyWCBGLHUDIMDAON-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
CID 27849909
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9022059
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
CID 9020337
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
3-[[N-benzyl-C-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]carbonimidoyl]amino]benzoic acid
CID 50801198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 9021927) is 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is WCBGLHUDIMDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-15(27)23-19-4-2-3-16(13-19)21(29)26-11-9-25(10-12-26)14-20(28)24-18-7-5-17(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9021927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).