1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone

C18H21N3O2 — CID 110256190

IUPAC1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(C)cc(Oc3ccccc3)n2)C1
InChIInChI=1S/C18H21N3O2/c1-13-11-17(23-16-8-4-3-5-9-16)20-18(19-13)15-7-6-10-21(12-15)14(2)22/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3
InChIKeyYVWHAAQLJWVVJB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.30
Rot. Bonds3

About 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone

1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 110256190) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
PubChem CID110256190
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(C)cc(Oc3ccccc3)n2)C1
InChIInChI=1S/C18H21N3O2/c1-13-11-17(23-16-8-4-3-5-9-16)20-18(19-13)15-7-6-10-21(12-15)14(2)22/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3
InChIKeyYVWHAAQLJWVVJB-UHFFFAOYSA-N
XLogP3.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208
cyclopropyl-[(3S)-3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822246
4-[6-methyl-2-[1-(2-methylprop-2-enoyl)piperidin-3-yl]pyrimidin-4-yl]oxybenzamide
CID 175656198
2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 95823280
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95822714
1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270128
[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110270342
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone (CID 110256190) is 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nc(C)cc(Oc3ccccc3)n2)C1.
What is the InChIKey of 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is YVWHAAQLJWVVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-11-17(23-16-8-4-3-5-9-16)20-18(19-13)15-7-6-10-21(12-15)14(2)22/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3.
What are the key properties of 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone?
1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 311.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110256190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).