N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C21H26FN3O2 — CID 33069859

IUPACN-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1F
InChIInChI=1S/C21H26FN3O2/c1-27-20-8-7-18(13-19(20)22)15-24-9-11-25(12-10-24)16-21(26)23-14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3,(H,23,26)
InChIKeyADKHGZPWXUHLLD-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.27
Rot. Bonds7

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

N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 33069859) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID33069859
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1F
InChIInChI=1S/C21H26FN3O2/c1-27-20-8-7-18(13-19(20)22)15-24-9-11-25(12-10-24)16-21(26)23-14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3,(H,23,26)
InChIKeyADKHGZPWXUHLLD-UHFFFAOYSA-N
XLogP2.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.27
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-naphthalen-1-ylacetamide
CID 17426240
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143639
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071348
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34132427
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46820742
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 33069859) is N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1F.
What is the InChIKey of N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ADKHGZPWXUHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-27-20-8-7-18(13-19(20)22)15-24-9-11-25(12-10-24)16-21(26)23-14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3,(H,23,26).
What are the key properties of N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 33069859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).