2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide

C24H26FN3O2 — CID 17426240

IUPAC2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1F
InChIInChI=1S/C24H26FN3O2/c1-30-23-10-9-18(15-21(23)25)16-27-11-13-28(14-12-27)17-24(29)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,15H,11-14,16-17H2,1H3,(H,26,29)
InChIKeyOYJFBWHUCSWHHC-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 17426240) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID17426240
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1F
InChIInChI=1S/C24H26FN3O2/c1-30-23-10-9-18(15-21(23)25)16-27-11-13-28(14-12-27)17-24(29)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,15H,11-14,16-17H2,1H3,(H,26,29)
InChIKeyOYJFBWHUCSWHHC-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 22194778
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46690058
N-(2-bromo-4-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069844
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071348
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9126554
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46820742
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 17426240) is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide is COc1ccc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1F.
What is the InChIKey of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is OYJFBWHUCSWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-30-23-10-9-18(15-21(23)25)16-27-11-13-28(14-12-27)17-24(29)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,15H,11-14,16-17H2,1H3,(H,26,29).
What are the key properties of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 407.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 17426240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).