4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one

C14H21N3O2 — CID 64681749

IUPAC4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
SMILESCOc1cccc(C(CN)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C14H21N3O2/c1-16-6-7-17(10-14(16)18)13(9-15)11-4-3-5-12(8-11)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3
InChIKeyQIOQYEINQWPIOZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.47
Rot. Bonds4

About 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one

4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one (PubChem CID 64681749) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
PubChem CID64681749
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
SMILESCOc1cccc(C(CN)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C14H21N3O2/c1-16-6-7-17(10-14(16)18)13(9-15)11-4-3-5-12(8-11)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3
InChIKeyQIOQYEINQWPIOZ-UHFFFAOYSA-N
XLogP0.47
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64680055
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
CID 64680050
2-(3-methoxyphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742931
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one
CID 64682378
2-(2-ethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanamine
CID 43562486
[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
CID 81206167
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
CID 16642768
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196
2-(4-methyl-1,4-diazepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61210753

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one (CID 64681749) is 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one is COc1cccc(C(CN)N2CCN(C)C(=O)C2)c1.
What is the InChIKey of 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one?
The InChIKey is QIOQYEINQWPIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-6-7-17(10-14(16)18)13(9-15)11-4-3-5-12(8-11)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3.
What are the key properties of 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one?
4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64681749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).