2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone

C18H28N2O — CID 60524839

IUPAC2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCN(CC(=O)N1CCC(C)CC1)c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O/c1-5-19(17-7-6-15(3)12-16(17)4)13-18(21)20-10-8-14(2)9-11-20/h6-7,12,14H,5,8-11,13H2,1-4H3
InChIKeyFKYCRLKJEWVFFZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.39
Rot. Bonds4

About 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone

2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 60524839) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID60524839
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCN(CC(=O)N1CCC(C)CC1)c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O/c1-5-19(17-7-6-15(3)12-16(17)4)13-18(21)20-10-8-14(2)9-11-20/h6-7,12,14H,5,8-11,13H2,1-4H3
InChIKeyFKYCRLKJEWVFFZ-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-2-(N-ethyl-2,4-dimethylanilino)acetamide
CID 55864954
N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1339263
N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509
N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132690
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
N-(1-acetylpiperidin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 140969567
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
2-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 82138947
3-(N-ethyl-2,4-dimethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55864955

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone (CID 60524839) is 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone is CCN(CC(=O)N1CCC(C)CC1)c1ccc(C)cc1C.
What is the InChIKey of 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FKYCRLKJEWVFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19(17-7-6-15(3)12-16(17)4)13-18(21)20-10-8-14(2)9-11-20/h6-7,12,14H,5,8-11,13H2,1-4H3.
What are the key properties of 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone?
2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 60524839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).