2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide

C9H18FN3O — CID 130562132

IUPAC2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)C(C)(C)F)CC1
InChIInChI=1S/C9H18FN3O/c1-9(2,10)8(14)11-13-6-4-12(3)5-7-13/h4-7H2,1-3H3,(H,11,14)
InChIKeyBAVLWZKSQTZDIH-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.01
Rot. Bonds2

About 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide

2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 130562132) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID130562132
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)C(C)(C)F)CC1
InChIInChI=1S/C9H18FN3O/c1-9(2,10)8(14)11-13-6-4-12(3)5-7-13/h4-7H2,1-3H3,(H,11,14)
InChIKeyBAVLWZKSQTZDIH-UHFFFAOYSA-N
XLogP0.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide (CID 130562132) is 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide is CN1CCN(NC(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is BAVLWZKSQTZDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-9(2,10)8(14)11-13-6-4-12(3)5-7-13/h4-7H2,1-3H3,(H,11,14).
What are the key properties of 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 203.26 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 130562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).