1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one

C23H29N5O4 — CID 122161141

IUPAC1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)C1=O
InChIInChI=1S/C23H29N5O4/c1-16-13-21(25-17(2)24-16)32-18-7-6-10-26(14-18)22(29)15-27-11-12-28(23(27)30)19-8-4-5-9-20(19)31-3/h4-5,8-9,13,18H,6-7,10-12,14-15H2,1-3H3
InChIKeyGGSQWLLSROOZME-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one

1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one (PubChem CID 122161141) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
PubChem CID122161141
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)C1=O
InChIInChI=1S/C23H29N5O4/c1-16-13-21(25-17(2)24-16)32-18-7-6-10-26(14-18)22(29)15-27-11-12-28(23(27)30)19-8-4-5-9-20(19)31-3/h4-5,8-9,13,18H,6-7,10-12,14-15H2,1-3H3
InChIKeyGGSQWLLSROOZME-UHFFFAOYSA-N
XLogP2.41
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 122243431
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 100629286
1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
CID 121161021
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122260175
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one (CID 122161141) is 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one is COc1ccccc1N1CCN(CC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)C1=O.
What is the InChIKey of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
The InChIKey is GGSQWLLSROOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-16-13-21(25-17(2)24-16)32-18-7-6-10-26(14-18)22(29)15-27-11-12-28(23(27)30)19-8-4-5-9-20(19)31-3/h4-5,8-9,13,18H,6-7,10-12,14-15H2,1-3H3.
What are the key properties of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one has a molecular weight of 439.52 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 122161141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).