N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C24H31FN4O2 — CID 8744949

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN4O2/c1-4-29(21-10-8-20(25)9-11-21)23(31)17-28-14-12-27(13-15-28)16-22(30)26-24-18(2)6-5-7-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,26,30)
InChIKeyWEBXEQUJKAEICT-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.05
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 8744949) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID8744949
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN4O2/c1-4-29(21-10-8-20(25)9-11-21)23(31)17-28-14-12-27(13-15-28)16-22(30)26-24-18(2)6-5-7-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,26,30)
InChIKeyWEBXEQUJKAEICT-UHFFFAOYSA-N
XLogP3.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917291
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404317
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-[4-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 87013786
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 8744949) is N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is WEBXEQUJKAEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-4-29(21-10-8-20(25)9-11-21)23(31)17-28-14-12-27(13-15-28)16-22(30)26-24-18(2)6-5-7-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8744949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).