1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C20H26N4O3 — CID 95897540

IUPAC1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1
InChIInChI=1S/C20H26N4O3/c1-14-11-15(2)24(20(26)21-14)13-19(25)23-10-9-22(12-16(23)3)17-7-5-6-8-18(17)27-4/h5-8,11,16H,9-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyPDSMGWOJFFEXEM-MRXNPFEDSA-N
MW370.45 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 95897540) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID95897540
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1
InChIInChI=1S/C20H26N4O3/c1-14-11-15(2)24(20(26)21-14)13-19(25)23-10-9-22(12-16(23)3)17-7-5-6-8-18(17)27-4/h5-8,11,16H,9-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyPDSMGWOJFFEXEM-MRXNPFEDSA-N
XLogP1.61
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one with MolForge

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Related Compounds

1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 70732947
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 95873177
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564417
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
N-(2-ethylsulfanylethyl)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 121499519
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70750081
3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95892181
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 95897540) is 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1.
What is the InChIKey of 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is PDSMGWOJFFEXEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-11-15(2)24(20(26)21-14)13-19(25)23-10-9-22(12-16(23)3)17-7-5-6-8-18(17)27-4/h5-8,11,16H,9-10,12-13H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 95897540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).