3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C16H25N3O2 — CID 61095087

IUPAC3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCOc2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O2/c1-13(2)18-7-9-19(10-8-18)16(20)6-11-21-15-5-3-4-14(17)12-15/h3-5,12-13H,6-11,17H2,1-2H3
InChIKeyUCPDGTOGZXXXTF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds5

About 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 61095087) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID61095087
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCOc2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O2/c1-13(2)18-7-9-19(10-8-18)16(20)6-11-21-15-5-3-4-14(17)12-15/h3-5,12-13H,6-11,17H2,1-2H3
InChIKeyUCPDGTOGZXXXTF-UHFFFAOYSA-N
XLogP1.59
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61095265
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 61094210
3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 61428266
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103504960
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 61095087) is 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)CCOc2cccc(N)c2)CC1.
What is the InChIKey of 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is UCPDGTOGZXXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)18-7-9-19(10-8-18)16(20)6-11-21-15-5-3-4-14(17)12-15/h3-5,12-13H,6-11,17H2,1-2H3.
What are the key properties of 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 61095087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).