2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide

C22H27FN4O4 — CID 20970572

IUPAC2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C22H27FN4O4/c1-30-17-11-16(12-18(13-17)31-2)24-21(28)14-26-7-9-27(10-8-26)15-22(29)25-20-6-4-3-5-19(20)23/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNGSLQAXFJGVOSJ-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.04
Rot. Bonds8

About 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 20970572) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID20970572
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC Name2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C22H27FN4O4/c1-30-17-11-16(12-18(13-17)31-2)24-21(28)14-26-7-9-27(10-8-26)15-22(29)25-20-6-4-3-5-19(20)23/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNGSLQAXFJGVOSJ-UHFFFAOYSA-N
XLogP2.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993712
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417268
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride
CID 3050698
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33074129
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 20970572) is 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide is COc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc(OC)c1.
What is the InChIKey of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is NGSLQAXFJGVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-30-17-11-16(12-18(13-17)31-2)24-21(28)14-26-7-9-27(10-8-26)15-22(29)25-20-6-4-3-5-19(20)23/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 430.48 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 20970572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).