1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one

C21H27N3O3 — CID 70732947

IUPAC1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)CCn2c(C)cccc2=O)C(C)C1
InChIInChI=1S/C21H27N3O3/c1-16-7-6-10-20(25)23(16)12-11-21(26)24-14-13-22(15-17(24)2)18-8-4-5-9-19(18)27-3/h4-10,17H,11-15H2,1-3H3
InChIKeyUPKIUNNXWCECAF-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.29
Rot. Bonds5

About 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one

1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 70732947) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID70732947
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)CCn2c(C)cccc2=O)C(C)C1
InChIInChI=1S/C21H27N3O3/c1-16-7-6-10-20(25)23(16)12-11-21(26)24-14-13-22(15-17(24)2)18-8-4-5-9-19(18)27-3/h4-10,17H,11-15H2,1-3H3
InChIKeyUPKIUNNXWCECAF-UHFFFAOYSA-N
XLogP2.29
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118762016
N-(2-ethylsulfanylethyl)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 121499519
2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 95873177
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70750081
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590
5-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897591

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 70732947) is 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is COc1ccccc1N1CCN(C(=O)CCn2c(C)cccc2=O)C(C)C1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is UPKIUNNXWCECAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-7-6-10-20(25)23(16)12-11-21(26)24-14-13-22(15-17(24)2)18-8-4-5-9-19(18)27-3/h4-10,17H,11-15H2,1-3H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 70732947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).