2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

C25H28FN3O2 — CID 19752690

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H28FN3O2/c1-31-23-10-5-19-3-2-4-20(24(19)17-23)11-12-27-25(30)18-28-13-15-29(16-14-28)22-8-6-21(26)7-9-22/h2-10,17H,11-16,18H2,1H3,(H,27,30)
InChIKeyWPHZAPDZKKUEPR-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.47
Rot. Bonds7

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 19752690) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID19752690
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H28FN3O2/c1-31-23-10-5-19-3-2-4-20(24(19)17-23)11-12-27-25(30)18-28-13-15-29(16-14-28)22-8-6-21(26)7-9-22/h2-10,17H,11-16,18H2,1H3,(H,27,30)
InChIKeyWPHZAPDZKKUEPR-UHFFFAOYSA-N
XLogP3.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 19752690) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cccc(CCNC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is WPHZAPDZKKUEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-31-23-10-5-19-3-2-4-20(24(19)17-23)11-12-27-25(30)18-28-13-15-29(16-14-28)22-8-6-21(26)7-9-22/h2-10,17H,11-16,18H2,1H3,(H,27,30).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 19752690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).