2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C21H23F2N3O2 — CID 36877786

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-15-2-3-16(12-19(15)23)13-24-20(27)14-25-8-10-26(11-9-25)21(28)17-4-6-18(22)7-5-17/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyCXNXFWZPUSQUBQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 36877786) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID36877786
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-15-2-3-16(12-19(15)23)13-24-20(27)14-25-8-10-26(11-9-25)21(28)17-4-6-18(22)7-5-17/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyCXNXFWZPUSQUBQ-UHFFFAOYSA-N
XLogP2.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 41444161
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 63871978
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 30645182
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111844565
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 35269920
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875811

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 36877786) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is CXNXFWZPUSQUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-15-2-3-16(12-19(15)23)13-24-20(27)14-25-8-10-26(11-9-25)21(28)17-4-6-18(22)7-5-17/h2-7,12H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 387.43 g/mol, XLogP of 2.35, 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-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 36877786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).