1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

C18H28N2O2 — CID 119817687

IUPAC1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCCC1CN(C(=O)CNCCOC)CCC1c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-15-14-20(18(21)13-19-10-12-22-2)11-9-17(15)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3
InChIKeyCMOAOCCGDYCDGC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.26
Rot. Bonds7

About 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 119817687) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID119817687
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCCC1CN(C(=O)CNCCOC)CCC1c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-15-14-20(18(21)13-19-10-12-22-2)11-9-17(15)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3
InChIKeyCMOAOCCGDYCDGC-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119805743
methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 95935159
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (CID 119817687) is 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is CCC1CN(C(=O)CNCCOC)CCC1c1ccccc1.
What is the InChIKey of 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is CMOAOCCGDYCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-15-14-20(18(21)13-19-10-12-22-2)11-9-17(15)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119817687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).