1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone

C15H20N2O3 — CID 7346087

IUPAC1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
SMILESCC[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O3/c1-2-13-8-5-6-10-16(13)15(18)11-12-7-3-4-9-14(12)17(19)20/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3/t13-/m1/s1
InChIKeyLQFQRVZMILPCSB-CYBMUJFWSA-N
MW276.34 g/mol
LogP2.93
Rot. Bonds4

About 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone

1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone (PubChem CID 7346087) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
PubChem CID7346087
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
SMILESCC[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O3/c1-2-13-8-5-6-10-16(13)15(18)11-12-7-3-4-9-14(12)17(19)20/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3/t13-/m1/s1
InChIKeyLQFQRVZMILPCSB-CYBMUJFWSA-N
XLogP2.93
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(hydroxymethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 43421559
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60743184
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2381992
N-cyclopropyl-1-[2-(2-nitrophenyl)acetyl]pyrrolidine-2-carboxamide
CID 86924380
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 42919758
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone;hydrochloride
CID 22285821
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 78801167

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone (CID 7346087) is 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone is CC[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone?
The InChIKey is LQFQRVZMILPCSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-13-8-5-6-10-16(13)15(18)11-12-7-3-4-9-14(12)17(19)20/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone?
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone has a molecular weight of 276.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 7346087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).