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

C14H21N3O2 — CID 82164279

IUPAC1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-16-5-7-17(8-6-16)10-13(18)11-3-4-14(19-2)12(15)9-11/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyDTAQSTUBXRYGJM-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds4

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

1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 82164279) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID82164279
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-16-5-7-17(8-6-16)10-13(18)11-3-4-14(19-2)12(15)9-11/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyDTAQSTUBXRYGJM-UHFFFAOYSA-N
XLogP0.71
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
1-(3-bromo-4-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 43796996
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 82164279) is 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(C(=O)CN2CCN(C)CC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DTAQSTUBXRYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-5-7-17(8-6-16)10-13(18)11-3-4-14(19-2)12(15)9-11/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82164279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).