N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C21H26N4O3 — CID 110256556

IUPACN-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2nc(C)cc(Oc3ccccc3C)n2)C1
InChIInChI=1S/C21H26N4O3/c1-14-7-4-5-9-18(14)28-19-11-15(2)23-21(24-19)17-8-6-10-25(13-17)20(27)12-22-16(3)26/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3,(H,22,26)
InChIKeyDYNNBEKJQAOJJH-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.73
Rot. Bonds5

About N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110256556) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110256556
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2nc(C)cc(Oc3ccccc3C)n2)C1
InChIInChI=1S/C21H26N4O3/c1-14-7-4-5-9-18(14)28-19-11-15(2)23-21(24-19)17-8-6-10-25(13-17)20(27)12-22-16(3)26/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3,(H,22,26)
InChIKeyDYNNBEKJQAOJJH-UHFFFAOYSA-N
XLogP2.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95843955
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124995367
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141
1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110256190
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518
1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 110256239
1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208
[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124988915

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 110256556) is N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC(c2nc(C)cc(Oc3ccccc3C)n2)C1.
What is the InChIKey of N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is DYNNBEKJQAOJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-7-4-5-9-18(14)28-19-11-15(2)23-21(24-19)17-8-6-10-25(13-17)20(27)12-22-16(3)26/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110256556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).