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

C24H31N5O4 — CID 121161021

IUPAC1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
SMILESCCOc1ccc(N2CCN(CC(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)C2=O)cc1
InChIInChI=1S/C24H31N5O4/c1-4-32-20-7-5-19(6-8-20)29-14-13-28(24(29)31)16-23(30)27-11-9-21(10-12-27)33-22-15-17(2)25-18(3)26-22/h5-8,15,21H,4,9-14,16H2,1-3H3
InChIKeyXSQPYOSLNWYRLB-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.80
Rot. Bonds7

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

1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one (PubChem CID 121161021) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
PubChem CID121161021
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
SMILESCCOc1ccc(N2CCN(CC(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)C2=O)cc1
InChIInChI=1S/C24H31N5O4/c1-4-32-20-7-5-19(6-8-20)29-14-13-28(24(29)31)16-23(30)27-11-9-21(10-12-27)33-22-15-17(2)25-18(3)26-22/h5-8,15,21H,4,9-14,16H2,1-3H3
InChIKeyXSQPYOSLNWYRLB-UHFFFAOYSA-N
XLogP2.80
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 90638848
1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162711
1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162712
1-(4-ethoxyphenyl)-3-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]imidazolidin-2-one
CID 90632956
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
CID 122161141
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161062
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
1-(4-methylphenyl)-3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 100738571

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one (CID 121161021) is 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one is CCOc1ccc(N2CCN(CC(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)C2=O)cc1.
What is the InChIKey of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one?
The InChIKey is XSQPYOSLNWYRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-32-20-7-5-19(6-8-20)29-14-13-28(24(29)31)16-23(30)27-11-9-21(10-12-27)33-22-15-17(2)25-18(3)26-22/h5-8,15,21H,4,9-14,16H2,1-3H3.
What are the key properties of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one?
1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one has a molecular weight of 453.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 121161021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).