2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C20H24F2N4O2 — CID 133424264

IUPAC2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(OC(F)F)cn2)CC1
InChIInChI=1S/C20H24F2N4O2/c1-14-4-3-5-15(2)19(14)24-18(27)13-25-8-10-26(11-9-25)17-7-6-16(12-23-17)28-20(21)22/h3-7,12,20H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyNJPGXYCSGLSMQY-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.06
Rot. Bonds6

About 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 133424264) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID133424264
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(OC(F)F)cn2)CC1
InChIInChI=1S/C20H24F2N4O2/c1-14-4-3-5-15(2)19(14)24-18(27)13-25-8-10-26(11-9-25)17-7-6-16(12-23-17)28-20(21)22/h3-7,12,20H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyNJPGXYCSGLSMQY-UHFFFAOYSA-N
XLogP3.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 136559335
N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133416210
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919099
N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)benzoyl]piperazin-1-yl]acetamide
CID 9021597
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 133424264) is 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(OC(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is NJPGXYCSGLSMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-14-4-3-5-15(2)19(14)24-18(27)13-25-8-10-26(11-9-25)17-7-6-16(12-23-17)28-20(21)22/h3-7,12,20H,8-11,13H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 390.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 133424264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).