2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one

C21H27N3O3 — CID 135420399

IUPAC2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2nc(C)c(CC(=O)N3CCCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-27-17-9-7-16(8-10-17)13-19-22-15(2)18(21(26)23-19)14-20(25)24-11-5-4-6-12-24/h7-10H,3-6,11-14H2,1-2H3,(H,22,23,26)
InChIKeyULYXRSSYZCRUNY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.62
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one

2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 135420399) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID135420399
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2nc(C)c(CC(=O)N3CCCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-27-17-9-7-16(8-10-17)13-19-22-15(2)18(21(26)23-19)14-20(25)24-11-5-4-6-12-24/h7-10H,3-6,11-14H2,1-2H3,(H,22,23,26)
InChIKeyULYXRSSYZCRUNY-UHFFFAOYSA-N
XLogP2.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 137092367
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-2-one
CID 60692290
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 108543695
4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
CID 136616671
5-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136835264
ethyl 4-[2-(2-benzylsulfanyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 136616116
2-(4-ethoxyphenyl)-1-[4-[(2-methylpyrimidin-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 139599072
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one (CID 135420399) is 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one is CCOc1ccc(Cc2nc(C)c(CC(=O)N3CCCCC3)c(=O)[nH]2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is ULYXRSSYZCRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-27-17-9-7-16(8-10-17)13-19-22-15(2)18(21(26)23-19)14-20(25)24-11-5-4-6-12-24/h7-10H,3-6,11-14H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 369.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135420399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).