2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide

C21H26N4O3 — CID 110083309

IUPAC2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
SMILESCc1nc(C2CCCN(C(=O)COc3ccccc3)C2)nc(C)c1CC(N)=O
InChIInChI=1S/C21H26N4O3/c1-14-18(11-19(22)26)15(2)24-21(23-14)16-7-6-10-25(12-16)20(27)13-28-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H2,22,26)
InChIKeyQIBATVMWAOLQCU-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.91
Rot. Bonds6

About 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide

2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide (PubChem CID 110083309) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
PubChem CID110083309
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
SMILESCc1nc(C2CCCN(C(=O)COc3ccccc3)C2)nc(C)c1CC(N)=O
InChIInChI=1S/C21H26N4O3/c1-14-18(11-19(22)26)15(2)24-21(23-14)16-7-6-10-25(12-16)20(27)13-28-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H2,22,26)
InChIKeyQIBATVMWAOLQCU-UHFFFAOYSA-N
XLogP1.91
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263503
2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124994211
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125006080
2-[2-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124971971
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083343
2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 92608905

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide (CID 110083309) is 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide is Cc1nc(C2CCCN(C(=O)COc3ccccc3)C2)nc(C)c1CC(N)=O.
What is the InChIKey of 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide?
The InChIKey is QIBATVMWAOLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-18(11-19(22)26)15(2)24-21(23-14)16-7-6-10-25(12-16)20(27)13-28-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H2,22,26).
What are the key properties of 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide?
2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 110083309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).