2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C21H26FN3O2 — CID 60512330

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-16(17-7-3-6-10-20(17)27-2)23-21(26)15-24-11-13-25(14-12-24)19-9-5-4-8-18(19)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyULTJCBNLYOUEBL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.83
Rot. Bonds6

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 60512330) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID60512330
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-16(17-7-3-6-10-20(17)27-2)23-21(26)15-24-11-13-25(14-12-24)19-9-5-4-8-18(19)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyULTJCBNLYOUEBL-UHFFFAOYSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8687425
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 126789735
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78897328
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 60512330) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is ULTJCBNLYOUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16(17-7-3-6-10-20(17)27-2)23-21(26)15-24-11-13-25(14-12-24)19-9-5-4-8-18(19)22/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 60512330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).