2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide

C25H31FN4O2 — CID 126417090

IUPAC2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H31FN4O2/c1-15-11-21(15)25(32)30-10-4-5-19(14-30)24-28-16(2)22(17(3)29-24)12-23(31)27-13-18-6-8-20(26)9-7-18/h6-9,15,19,21H,4-5,10-14H2,1-3H3,(H,27,31)/t15-,19+,21-/m0/s1
InChIKeyDHXKPQYBSJPEQP-DLVCFXQMSA-N
MW438.55 g/mol
LogP3.45
Rot. Bonds6

About 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 126417090) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID126417090
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H31FN4O2/c1-15-11-21(15)25(32)30-10-4-5-19(14-30)24-28-16(2)22(17(3)29-24)12-23(31)27-13-18-6-8-20(26)9-7-18/h6-9,15,19,21H,4-5,10-14H2,1-3H3,(H,27,31)/t15-,19+,21-/m0/s1
InChIKeyDHXKPQYBSJPEQP-DLVCFXQMSA-N
XLogP3.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-[2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125021014
2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125011438
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084695
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-phenylacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92636020
N-ethyl-2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125026551
2-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639870
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057
2-[2-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 110088478
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
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806063
2-[2-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 124961099

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 126417090) is 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DHXKPQYBSJPEQP-DLVCFXQMSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-15-11-21(15)25(32)30-10-4-5-19(14-30)24-28-16(2)22(17(3)29-24)12-23(31)27-13-18-6-8-20(26)9-7-18/h6-9,15,19,21H,4-5,10-14H2,1-3H3,(H,27,31)/t15-,19+,21-/m0/s1.
What are the key properties of 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 126417090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).