3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one

C15H23N3O3 — CID 82071054

IUPAC3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1cc(CCC(=O)N2CCNCC2)cc(N)c1OC
InChIInChI=1S/C15H23N3O3/c1-20-13-10-11(9-12(16)15(13)21-2)3-4-14(19)18-7-5-17-6-8-18/h9-10,17H,3-8,16H2,1-2H3
InChIKeyBFUBAKOKAUAZBT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.65
Rot. Bonds5

About 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one

3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82071054) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID82071054
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1cc(CCC(=O)N2CCNCC2)cc(N)c1OC
InChIInChI=1S/C15H23N3O3/c1-20-13-10-11(9-12(16)15(13)21-2)3-4-14(19)18-7-5-17-6-8-18/h9-10,17H,3-8,16H2,1-2H3
InChIKeyBFUBAKOKAUAZBT-UHFFFAOYSA-N
XLogP0.65
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.65
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

3-(3-amino-4-methoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 82153341
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-piperazin-1-ylpropan-1-one
CID 112720332
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
3-(3-amino-4,5-diethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070956
3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83952625
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 72696254
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
1-(4-pyridin-4-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 18456346
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 119622600

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one (CID 82071054) is 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one is COc1cc(CCC(=O)N2CCNCC2)cc(N)c1OC.
What is the InChIKey of 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is BFUBAKOKAUAZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-13-10-11(9-12(16)15(13)21-2)3-4-14(19)18-7-5-17-6-8-18/h9-10,17H,3-8,16H2,1-2H3.
What are the key properties of 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 293.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82071054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).