2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide

C25H33FN4O2 — CID 125009020

IUPAC2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C25H33FN4O2/c1-16-19(13-22(31)29-21-11-7-6-10-20(21)26)17(2)28-24(27-16)18-9-8-12-30(15-18)23(32)14-25(3,4)5/h6-7,10-11,18H,8-9,12-15H2,1-5H3,(H,29,31)/t18-/m1/s1
InChIKeyUZIANCIADRNPFF-GOSISDBHSA-N
MW440.56 g/mol
LogP4.56
Rot. Bonds5

About 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 125009020) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID125009020
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C25H33FN4O2/c1-16-19(13-22(31)29-21-11-7-6-10-20(21)26)17(2)28-24(27-16)18-9-8-12-30(15-18)23(32)14-25(3,4)5/h6-7,10-11,18H,8-9,12-15H2,1-5H3,(H,29,31)/t18-/m1/s1
InChIKeyUZIANCIADRNPFF-GOSISDBHSA-N
XLogP4.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124993117
N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083343
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057
2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124957751
2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125011438
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312
2-[2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 110088408

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 125009020) is 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is Cc1nc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is UZIANCIADRNPFF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-16-19(13-22(31)29-21-11-7-6-10-20(21)26)17(2)28-24(27-16)18-9-8-12-30(15-18)23(32)14-25(3,4)5/h6-7,10-11,18H,8-9,12-15H2,1-5H3,(H,29,31)/t18-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 440.56 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 125009020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).