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

C21H26FN3O3 — CID 31129825

IUPAC2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H26FN3O3/c1-27-19-6-7-20(28-2)16(12-19)14-24-8-10-25(11-9-24)15-21(26)23-18-5-3-4-17(22)13-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyINYVBUIIIFNLNP-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.60
Rot. Bonds7

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

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 31129825) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID31129825
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H26FN3O3/c1-27-19-6-7-20(28-2)16(12-19)14-24-8-10-25(11-9-24)15-21(26)23-18-5-3-4-17(22)13-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyINYVBUIIIFNLNP-UHFFFAOYSA-N
XLogP2.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31129739
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 31129600
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436316
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9433551
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 31129825) is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is COc1ccc(OC)c(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is INYVBUIIIFNLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-27-19-6-7-20(28-2)16(12-19)14-24-8-10-25(11-9-24)15-21(26)23-18-5-3-4-17(22)13-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 31129825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).