1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C21H28N4O2 — CID 70750081

IUPAC1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CN(C)Cc2cccnc2)C(C)C1
InChIInChI=1S/C21H28N4O2/c1-17-14-24(19-8-4-5-9-20(19)27-3)11-12-25(17)21(26)16-23(2)15-18-7-6-10-22-13-18/h4-10,13,17H,11-12,14-16H2,1-3H3
InChIKeyKWGPLEZWALAWOS-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.26
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 70750081) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
PubChem CID70750081
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CN(C)Cc2cccnc2)C(C)C1
InChIInChI=1S/C21H28N4O2/c1-17-14-24(19-8-4-5-9-20(19)27-3)11-12-25(17)21(26)16-23(2)15-18-7-6-10-22-13-18/h4-10,13,17H,11-12,14-16H2,1-3H3
InChIKeyKWGPLEZWALAWOS-UHFFFAOYSA-N
XLogP2.26
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70782961
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
1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 70732947
2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 95873177
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-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 42519173
(4aS,5S)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 129428061
1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 72927087
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
CID 124977060
1-[(1S)-1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 42460412

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 70750081) is 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is COc1ccccc1N1CCN(C(=O)CN(C)Cc2cccnc2)C(C)C1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The InChIKey is KWGPLEZWALAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17-14-24(19-8-4-5-9-20(19)27-3)11-12-25(17)21(26)16-23(2)15-18-7-6-10-22-13-18/h4-10,13,17H,11-12,14-16H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 368.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 70750081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).