2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide

C16H22FN7O — CID 72878268

IUPAC2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCN(C)c1nc(N2CCCC(c3nccn3CC(N)=O)C2)ncc1F
InChIInChI=1S/C16H22FN7O/c1-22(2)15-12(17)8-20-16(21-15)24-6-3-4-11(9-24)14-19-5-7-23(14)10-13(18)25/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H2,18,25)
InChIKeyLXMMDBMOVVNXGU-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.75
Rot. Bonds5

About 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72878268) has the molecular formula C16H22FN7O and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72878268
Molecular FormulaC16H22FN7O
Molecular Weight347.40 g/mol
Exact Mass347.19
IUPAC Name2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCN(C)c1nc(N2CCCC(c3nccn3CC(N)=O)C2)ncc1F
InChIInChI=1S/C16H22FN7O/c1-22(2)15-12(17)8-20-16(21-15)24-6-3-4-11(9-24)14-19-5-7-23(14)10-13(18)25/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H2,18,25)
InChIKeyLXMMDBMOVVNXGU-UHFFFAOYSA-N
XLogP0.75
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72878965
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276868
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97271410
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97278954
2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
CID 72852742
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 72878268) is 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide is CN(C)c1nc(N2CCCC(c3nccn3CC(N)=O)C2)ncc1F.
What is the InChIKey of 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is LXMMDBMOVVNXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN7O/c1-22(2)15-12(17)8-20-16(21-15)24-6-3-4-11(9-24)14-19-5-7-23(14)10-13(18)25/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H2,18,25).
What are the key properties of 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72878268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).