2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide

C17H22FN3O2 — CID 9207266

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c(F)c1
InChIInChI=1S/C17H22FN3O2/c1-12-2-5-15(14(18)10-12)19-16(22)11-20-6-8-21(9-7-20)17(23)13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,19,22)
InChIKeyKCJCWOIAUAUEHF-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 9207266) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID9207266
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c(F)c1
InChIInChI=1S/C17H22FN3O2/c1-12-2-5-15(14(18)10-12)19-16(22)11-20-6-8-21(9-7-20)17(23)13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,19,22)
InChIKeyKCJCWOIAUAUEHF-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide (CID 9207266) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c(F)c1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is KCJCWOIAUAUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12-2-5-15(14(18)10-12)19-16(22)11-20-6-8-21(9-7-20)17(23)13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,19,22).
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9207266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).