N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide

C23H26FN5O2 — CID 55699772

IUPACN-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide
SMILESCC1=NN(c2ccc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C23H26FN5O2/c1-17-10-11-29(26-17)21-8-2-18(3-9-21)23(31)28-14-12-27(13-15-28)16-22(30)25-20-6-4-19(24)5-7-20/h2-9H,10-16H2,1H3,(H,25,30)
InChIKeyFVZLHENBVDMDOX-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.81
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 55699772) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide
PubChem CID55699772
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide
SMILESCC1=NN(c2ccc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C23H26FN5O2/c1-17-10-11-29(26-17)21-8-2-18(3-9-21)23(31)28-14-12-27(13-15-28)16-22(30)25-20-6-4-19(24)5-7-20/h2-9H,10-16H2,1H3,(H,25,30)
InChIKeyFVZLHENBVDMDOX-UHFFFAOYSA-N
XLogP2.81
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021871
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9022059
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
2-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 60550834
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide (CID 55699772) is N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide is CC1=NN(c2ccc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is FVZLHENBVDMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-17-10-11-29(26-17)21-8-2-18(3-9-21)23(31)28-14-12-27(13-15-28)16-22(30)25-20-6-4-19(24)5-7-20/h2-9H,10-16H2,1H3,(H,25,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 423.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55699772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).