1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one

C18H28N2O — CID 109019962

IUPAC1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
SMILESCCC1CCCCN1C(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-3-17-6-4-5-13-20(17)18(21)11-12-19-14-16-9-7-15(2)8-10-16/h7-10,17,19H,3-6,11-14H2,1-2H3
InChIKeyLYLFBBOTSKZHFY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.27
Rot. Bonds6

About 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one

1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one (PubChem CID 109019962) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
PubChem CID109019962
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
SMILESCCC1CCCCN1C(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-3-17-6-4-5-13-20(17)18(21)11-12-19-14-16-9-7-15(2)8-10-16/h7-10,17,19H,3-6,11-14H2,1-2H3
InChIKeyLYLFBBOTSKZHFY-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110295013
1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
CID 109022144
1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030915
3-[(4-methylphenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014305
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 81484038
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one (CID 109019962) is 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one is CCC1CCCCN1C(=O)CCNCc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one?
The InChIKey is LYLFBBOTSKZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-17-6-4-5-13-20(17)18(21)11-12-19-14-16-9-7-15(2)8-10-16/h7-10,17,19H,3-6,11-14H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one?
1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one is sourced from PubChem (CID 109019962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).