4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide

C24H26FN3O2 — CID 11582219

IUPAC4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide
SMILESCOc1ccc2cccc(N3CCN(CCNC(=O)c4ccc([18F])cc4)CC3)c2c1
InChIInChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)/i25-1
InChIKeyIFMQODYDAUKKEN-FNNGWQQSSA-N
MW406.49 g/mol
LogP3.54
Rot. Bonds6

About 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide

4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide (PubChem CID 11582219) has the molecular formula C24H26FN3O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide.

Molecular Properties

Compound Name4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide
PubChem CID11582219
Molecular FormulaC24H26FN3O2
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide
SMILESCOc1ccc2cccc(N3CCN(CCNC(=O)c4ccc([18F])cc4)CC3)c2c1
InChIInChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)/i25-1
InChIKeyIFMQODYDAUKKEN-FNNGWQQSSA-N
XLogP3.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide?
The IUPAC name of 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide (CID 11582219) is 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide.
What is the SMILES notation for 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide?
The canonical SMILES for 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide is COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc([18F])cc4)CC3)c2c1.
What is the InChIKey of 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide?
The InChIKey is IFMQODYDAUKKEN-FNNGWQQSSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)/i25-1.
What are the key properties of 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide?
4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide is sourced from PubChem (CID 11582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).