2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C16H24FN3O — CID 63871978

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CC(C)NC(C)C2)cc1F
InChIInChI=1S/C16H24FN3O/c1-11-4-5-14(6-15(11)17)7-18-16(21)10-20-8-12(2)19-13(3)9-20/h4-6,12-13,19H,7-10H2,1-3H3,(H,18,21)
InChIKeyUKNOIVBPVWLVQY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.43
Rot. Bonds4

About 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 63871978) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID63871978
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CC(C)NC(C)C2)cc1F
InChIInChI=1S/C16H24FN3O/c1-11-4-5-14(6-15(11)17)7-18-16(21)10-20-8-12(2)19-13(3)9-20/h4-6,12-13,19H,7-10H2,1-3H3,(H,18,21)
InChIKeyUKNOIVBPVWLVQY-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 63871978) is 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CC(C)NC(C)C2)cc1F.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is UKNOIVBPVWLVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-4-5-14(6-15(11)17)7-18-16(21)10-20-8-12(2)19-13(3)9-20/h4-6,12-13,19H,7-10H2,1-3H3,(H,18,21).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 63871978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).