2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide

C23H30N4O2 — CID 124997788

IUPAC2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C
InChIInChI=1S/C23H30N4O2/c1-15(18-9-6-5-7-10-18)23(29)27-12-8-11-19(14-27)22-25-16(2)20(17(3)26-22)13-21(28)24-4/h5-7,9-10,15,19H,8,11-14H2,1-4H3,(H,24,28)/t15-,19-/m0/s1
InChIKeyRCYBNCQOPUTQLB-KXBFYZLASA-N
MW394.52 g/mol
LogP2.89
Rot. Bonds5

About 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide

2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide (PubChem CID 124997788) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
PubChem CID124997788
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C
InChIInChI=1S/C23H30N4O2/c1-15(18-9-6-5-7-10-18)23(29)27-12-8-11-19(14-27)22-25-16(2)20(17(3)26-22)13-21(28)24-4/h5-7,9-10,15,19H,8,11-14H2,1-4H3,(H,24,28)/t15-,19-/m0/s1
InChIKeyRCYBNCQOPUTQLB-KXBFYZLASA-N
XLogP2.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083315
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
1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124993117
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
2-[2-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 124961099
2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 110083249
2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125011438
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide (CID 124997788) is 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide is CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide?
The InChIKey is RCYBNCQOPUTQLB-KXBFYZLASA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15(18-9-6-5-7-10-18)23(29)27-12-8-11-19(14-27)22-25-16(2)20(17(3)26-22)13-21(28)24-4/h5-7,9-10,15,19H,8,11-14H2,1-4H3,(H,24,28)/t15-,19-/m0/s1.
What are the key properties of 2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide?
2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.89, 5 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-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 124997788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).