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

C24H29FN4O2 — CID 125022057

IUPAC2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C24H29FN4O2/c1-15-19(13-22(30)28-21-11-4-3-10-20(21)25)16(2)27-23(26-15)18-9-6-12-29(14-18)24(31)17-7-5-8-17/h3-4,10-11,17-18H,5-9,12-14H2,1-2H3,(H,28,30)/t18-/m0/s1
InChIKeyYNZWPRPXYUZOTM-SFHVURJKSA-N
MW424.52 g/mol
LogP3.92
Rot. Bonds5

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

2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 125022057) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID125022057
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C24H29FN4O2/c1-15-19(13-22(30)28-21-11-4-3-10-20(21)25)16(2)27-23(26-15)18-9-6-12-29(14-18)24(31)17-7-5-8-17/h3-4,10-11,17-18H,5-9,12-14H2,1-2H3,(H,28,30)/t18-/m0/s1
InChIKeyYNZWPRPXYUZOTM-SFHVURJKSA-N
XLogP3.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.92
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-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125009020
2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124957751
2-[2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125021014
2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide
CID 124983991
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
2-[2-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 110088478
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301
2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 126417090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 125022057) is 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is YNZWPRPXYUZOTM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-15-19(13-22(30)28-21-11-4-3-10-20(21)25)16(2)27-23(26-15)18-9-6-12-29(14-18)24(31)17-7-5-8-17/h3-4,10-11,17-18H,5-9,12-14H2,1-2H3,(H,28,30)/t18-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 125022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).