5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one

C16H25N3O2 — CID 142712233

IUPAC5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCN1CCN(C(=O)CCCCOc2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-9-11-19(12-10-18)16(20)4-2-3-13-21-15-7-5-14(17)6-8-15/h5-8H,2-4,9-13,17H2,1H3
InChIKeyLRFPIEHSCYWBCZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds6

About 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one

5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one (PubChem CID 142712233) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
PubChem CID142712233
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCN1CCN(C(=O)CCCCOc2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-9-11-19(12-10-18)16(20)4-2-3-13-21-15-7-5-14(17)6-8-15/h5-8H,2-4,9-13,17H2,1H3
InChIKeyLRFPIEHSCYWBCZ-UHFFFAOYSA-N
XLogP1.59
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
3-(4-aminophenoxy)-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63604670
3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103504960
2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
CID 142630847
6-(4-aminophenoxy)hexan-2-one;ethane;methanamine;propane
CID 144743016
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
3-(4-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 61093576
3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 106835109

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one (CID 142712233) is 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one is CN1CCN(C(=O)CCCCOc2ccc(N)cc2)CC1.
What is the InChIKey of 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one?
The InChIKey is LRFPIEHSCYWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-9-11-19(12-10-18)16(20)4-2-3-13-21-15-7-5-14(17)6-8-15/h5-8H,2-4,9-13,17H2,1H3.
What are the key properties of 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one?
5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 142712233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).