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

C15H23N3O2 — CID 82064900

IUPAC1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCNCC2)cc1N
InChIInChI=1S/C15H23N3O2/c1-2-20-15-4-3-12(11-13(15)16)14(19)5-8-18-9-6-17-7-10-18/h3-4,11,17H,2,5-10,16H2,1H3
InChIKeyBCJXWRYXIGUTDY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.15
Rot. Bonds6

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

1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82064900) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82064900
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCNCC2)cc1N
InChIInChI=1S/C15H23N3O2/c1-2-20-15-4-3-12(11-13(15)16)14(19)5-8-18-9-6-17-7-10-18/h3-4,11,17H,2,5-10,16H2,1H3
InChIKeyBCJXWRYXIGUTDY-UHFFFAOYSA-N
XLogP1.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.15
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-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 93218970
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
CID 82262863
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(3-amino-4-ethoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135912
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
4-O-ethyl 1-O-(2-piperazin-1-ylethyl) 2-aminobenzene-1,4-dicarboxylate
CID 174950585

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82064900) is 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one is CCOc1ccc(C(=O)CCN2CCNCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is BCJXWRYXIGUTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-15-4-3-12(11-13(15)16)14(19)5-8-18-9-6-17-7-10-18/h3-4,11,17H,2,5-10,16H2,1H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82064900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).