(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone

C18H28N2O2 — CID 97129286

IUPAC(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
SMILESCCOC1CCN(C(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-5-22-16-10-12-20(13-11-16)18(21)17(19(3)4)15-8-6-14(2)7-9-15/h6-9,16-17H,5,10-13H2,1-4H3/t17-/m1/s1
InChIKeyFXZLGXJGUDLGCV-QGZVFWFLSA-N
MW304.43 g/mol
LogP2.63
Rot. Bonds5

About (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone

(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 97129286) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID97129286
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
SMILESCCOC1CCN(C(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-5-22-16-10-12-20(13-11-16)18(21)17(19(3)4)15-8-6-14(2)7-9-15/h6-9,16-17H,5,10-13H2,1-4H3/t17-/m1/s1
InChIKeyFXZLGXJGUDLGCV-QGZVFWFLSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 72921497
2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 131889644
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 91775854
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631
(2R)-2-(dimethylamino)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 97200788
4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97143263
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 97207855
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
2-amino-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668374

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone (CID 97129286) is (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone is CCOC1CCN(C(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1.
What is the InChIKey of (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is FXZLGXJGUDLGCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-16-10-12-20(13-11-16)18(21)17(19(3)4)15-8-6-14(2)7-9-15/h6-9,16-17H,5,10-13H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone?
(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 97129286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).