3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one

C18H28N2O2 — CID 109032650

IUPAC3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCOc1ccc(NCCC(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C18H28N2O2/c1-3-16-7-5-6-14-20(16)18(21)12-13-19-15-8-10-17(11-9-15)22-4-2/h8-11,16,19H,3-7,12-14H2,1-2H3
InChIKeyVIGTZAFRPBOMLU-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.68
Rot. Bonds7

About 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one

3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 109032650) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID109032650
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCOc1ccc(NCCC(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C18H28N2O2/c1-3-16-7-5-6-14-20(16)18(21)12-13-19-15-8-10-17(11-9-15)22-4-2/h8-11,16,19H,3-7,12-14H2,1-2H3
InChIKeyVIGTZAFRPBOMLU-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884861
N-(4-ethoxyphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173923
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317
3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032703
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 109032650) is 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one is CCOc1ccc(NCCC(=O)N2CCCCC2CC)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is VIGTZAFRPBOMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-16-7-5-6-14-20(16)18(21)12-13-19-15-8-10-17(11-9-15)22-4-2/h8-11,16,19H,3-7,12-14H2,1-2H3.
What are the key properties of 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109032650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).