1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one

C14H21N3O2 — CID 82064899

IUPAC1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCN2CCNCC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-19-14-3-2-11(10-12(14)15)13(18)4-7-17-8-5-16-6-9-17/h2-3,10,16H,4-9,15H2,1H3
InChIKeyHMVRCYFSGHWIFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.76
Rot. Bonds5

About 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one

1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82064899) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82064899
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCN2CCNCC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-19-14-3-2-11(10-12(14)15)13(18)4-7-17-8-5-16-6-9-17/h2-3,10,16H,4-9,15H2,1H3
InChIKeyHMVRCYFSGHWIFH-UHFFFAOYSA-N
XLogP0.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
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-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82064899) is 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one is COc1ccc(C(=O)CCN2CCNCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is HMVRCYFSGHWIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14-3-2-11(10-12(14)15)13(18)4-7-17-8-5-16-6-9-17/h2-3,10,16H,4-9,15H2,1H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82064899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).