1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone

C15H20N2O4 — CID 19169486

IUPAC1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-2-12-7-5-6-10-16(12)15(18)11-21-14-9-4-3-8-13(14)17(19)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyQSBWBJOCFLREMQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone

1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone (PubChem CID 19169486) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
PubChem CID19169486
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-2-12-7-5-6-10-16(12)15(18)11-21-14-9-4-3-8-13(14)17(19)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyQSBWBJOCFLREMQ-UHFFFAOYSA-N
XLogP2.76
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 78801167
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 7346087
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
CID 43266232
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2381992
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 38390679
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 31611260
1-[(2R)-2-ethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991216
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone (CID 19169486) is 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone is CCC1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone?
The InChIKey is QSBWBJOCFLREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-12-7-5-6-10-16(12)15(18)11-21-14-9-4-3-8-13(14)17(19)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone has a molecular weight of 292.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone is sourced from PubChem (CID 19169486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).