1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone

C15H22N2O2 — CID 79659383

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CN(C)CCN2C)c1
InChIInChI=1S/C15H22N2O2/c1-16-7-8-17(2)14(11-16)15(18)10-12-5-4-6-13(9-12)19-3/h4-6,9,14H,7-8,10-11H2,1-3H3
InChIKeyJNZFPDRMQQBNIR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.05
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone

1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone (PubChem CID 79659383) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone
PubChem CID79659383
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CN(C)CCN2C)c1
InChIInChI=1S/C15H22N2O2/c1-16-7-8-17(2)14(11-16)15(18)10-12-5-4-6-13(9-12)19-3/h4-6,9,14H,7-8,10-11H2,1-3H3
InChIKeyJNZFPDRMQQBNIR-UHFFFAOYSA-N
XLogP1.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658392
1-[(5aR,8aR)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-2-(3-methoxyphenyl)ethanone
CID 124821230
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
CID 79659060
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one
CID 112534714
N-[(2S)-1-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide
CID 98799013

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone (CID 79659383) is 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2CN(C)CCN2C)c1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is JNZFPDRMQQBNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-7-8-17(2)14(11-16)15(18)10-12-5-4-6-13(9-12)19-3/h4-6,9,14H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone?
1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 79659383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).