2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one

C18H28N2O — CID 78786224

IUPAC2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H28N2O/c1-5-17-8-6-7-9-20(17)18(21)15(4)19-16-11-13(2)10-14(3)12-16/h10-12,15,17,19H,5-9H2,1-4H3
InChIKeyLSIHZVRLLSXIRL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.89
Rot. Bonds4

About 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one

2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 78786224) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID78786224
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H28N2O/c1-5-17-8-6-7-9-20(17)18(21)15(4)19-16-11-13(2)10-14(3)12-16/h10-12,15,17,19H,5-9H2,1-4H3
InChIKeyLSIHZVRLLSXIRL-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one
CID 91643924
1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 78788446
N-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 78839433
2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 41291522
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856
1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55865666
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 78786224) is 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)C(C)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is LSIHZVRLLSXIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-17-8-6-7-9-20(17)18(21)15(4)19-16-11-13(2)10-14(3)12-16/h10-12,15,17,19H,5-9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 78786224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).