2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide

C16H25N3O2 — CID 61138864

IUPAC2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)COc1cccc(N)c1)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-13(19-8-3-2-4-9-19)11-18-16(20)12-21-15-7-5-6-14(17)10-15/h5-7,10,13H,2-4,8-9,11-12,17H2,1H3,(H,18,20)
InChIKeyVVOAANNMWMFBAX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.64
Rot. Bonds6

About 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide

2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide (PubChem CID 61138864) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide
PubChem CID61138864
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)COc1cccc(N)c1)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-13(19-8-3-2-4-9-19)11-18-16(20)12-21-15-7-5-6-14(17)10-15/h5-7,10,13H,2-4,8-9,11-12,17H2,1H3,(H,18,20)
InChIKeyVVOAANNMWMFBAX-UHFFFAOYSA-N
XLogP1.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467
2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61095265
[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315041
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931343

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide (CID 61138864) is 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide is CC(CNC(=O)COc1cccc(N)c1)N1CCCCC1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide?
The InChIKey is VVOAANNMWMFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(19-8-3-2-4-9-19)11-18-16(20)12-21-15-7-5-6-14(17)10-15/h5-7,10,13H,2-4,8-9,11-12,17H2,1H3,(H,18,20).
What are the key properties of 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide?
2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 61138864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).