1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone

C14H20N2O2 — CID 112507549

IUPAC1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(C)=O)CCN1C
InChIInChI=1S/C14H20N2O2/c1-11(17)16-9-8-15(2)13(10-16)12-6-4-5-7-14(12)18-3/h4-7,13H,8-10H2,1-3H3
InChIKeyMUBXIJJXEBKKIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds2

About 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone (PubChem CID 112507549) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
PubChem CID112507549
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(C)=O)CCN1C
InChIInChI=1S/C14H20N2O2/c1-11(17)16-9-8-15(2)13(10-16)12-6-4-5-7-14(12)18-3/h4-7,13H,8-10H2,1-3H3
InChIKeyMUBXIJJXEBKKIM-UHFFFAOYSA-N
XLogP1.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293154

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone (CID 112507549) is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone is COc1ccccc1C1CN(C(C)=O)CCN1C.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The InChIKey is MUBXIJJXEBKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)16-9-8-15(2)13(10-16)12-6-4-5-7-14(12)18-3/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 112507549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).