1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one

C18H27N3O4 — CID 109018152

IUPAC1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
SMILESCOc1ccc(OCCNCCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H27N3O4/c1-15(22)20-10-12-21(13-11-20)18(23)7-8-19-9-14-25-17-5-3-16(24-2)4-6-17/h3-6,19H,7-14H2,1-2H3
InChIKeyRJRZMFKUEYDIMK-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.74
Rot. Bonds8

About 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one

1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one (PubChem CID 109018152) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
PubChem CID109018152
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
SMILESCOc1ccc(OCCNCCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H27N3O4/c1-15(22)20-10-12-21(13-11-20)18(23)7-8-19-9-14-25-17-5-3-16(24-2)4-6-17/h3-6,19H,7-14H2,1-2H3
InChIKeyRJRZMFKUEYDIMK-UHFFFAOYSA-N
XLogP0.74
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 108995589
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 4740376
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
CID 14257615
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylamino)propan-1-one
CID 109024278
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109254777

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one (CID 109018152) is 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one is COc1ccc(OCCNCCC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one?
The InChIKey is RJRZMFKUEYDIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-15(22)20-10-12-21(13-11-20)18(23)7-8-19-9-14-25-17-5-3-16(24-2)4-6-17/h3-6,19H,7-14H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one is sourced from PubChem (CID 109018152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).