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

C14H21N3O2 — CID 110096819

IUPAC2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(=O)CN)CCN1C
InChIInChI=1S/C14H21N3O2/c1-16-7-8-17(14(18)9-15)10-12(16)11-5-3-4-6-13(11)19-2/h3-6,12H,7-10,15H2,1-2H3
InChIKeyPDZGVUYFKCPUTF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.47
Rot. Bonds3

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

2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone (PubChem CID 110096819) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
PubChem CID110096819
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(=O)CN)CCN1C
InChIInChI=1S/C14H21N3O2/c1-16-7-8-17(14(18)9-15)10-12(16)11-5-3-4-6-13(11)19-2/h3-6,12H,7-10,15H2,1-2H3
InChIKeyPDZGVUYFKCPUTF-UHFFFAOYSA-N
XLogP0.47
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
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
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124998291
3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310525
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182
1-(3,4-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110631946

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone (CID 110096819) is 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone is COc1ccccc1C1CN(C(=O)CN)CCN1C.
What is the InChIKey of 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The InChIKey is PDZGVUYFKCPUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-7-8-17(14(18)9-15)10-12(16)11-5-3-4-6-13(11)19-2/h3-6,12H,7-10,15H2,1-2H3.
What are the key properties of 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110096819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).