3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one

C24H23FN2O3 — CID 172655604

IUPAC3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(-c2ccc(OC)cc2F)c2ccccc12
InChIInChI=1S/C24H23FN2O3/c1-3-22-23(28)26-12-13-27(22)24(29)20-11-10-18(16-6-4-5-7-17(16)20)19-9-8-15(30-2)14-21(19)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,26,28)
InChIKeyJOFXLBQVFROIPD-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.01
Rot. Bonds4

About 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one

3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one (PubChem CID 172655604) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
PubChem CID172655604
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(-c2ccc(OC)cc2F)c2ccccc12
InChIInChI=1S/C24H23FN2O3/c1-3-22-23(28)26-12-13-27(22)24(29)20-11-10-18(16-6-4-5-7-17(16)20)19-9-8-15(30-2)14-21(19)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,26,28)
InChIKeyJOFXLBQVFROIPD-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
CID 92613425
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one
CID 176502280
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
CID 92627950
butyl 2-[1-(2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959194
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-2-one
CID 45210363
2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 54790619
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one (CID 172655604) is 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccc(-c2ccc(OC)cc2F)c2ccccc12.
What is the InChIKey of 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one?
The InChIKey is JOFXLBQVFROIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-3-22-23(28)26-12-13-27(22)24(29)20-11-10-18(16-6-4-5-7-17(16)20)19-9-8-15(30-2)14-21(19)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,26,28).
What are the key properties of 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one?
3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one has a molecular weight of 406.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 172655604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).