2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C18H28N2O — CID 62031653

IUPAC2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCN(CC(=O)c1cc(C)c(C)cc1C)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-5-20(16-6-8-19-9-7-16)12-18(21)17-11-14(3)13(2)10-15(17)4/h10-11,16,19H,5-9,12H2,1-4H3
InChIKeyXFQJWOPYMBVZIH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.87
Rot. Bonds5

About 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 62031653) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID62031653
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCN(CC(=O)c1cc(C)c(C)cc1C)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-5-20(16-6-8-19-9-7-16)12-18(21)17-11-14(3)13(2)10-15(17)4/h10-11,16,19H,5-9,12H2,1-4H3
InChIKeyXFQJWOPYMBVZIH-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62031654
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806799
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone
CID 60806605

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 62031653) is 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone is CCN(CC(=O)c1cc(C)c(C)cc1C)C1CCNCC1.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is XFQJWOPYMBVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-20(16-6-8-19-9-7-16)12-18(21)17-11-14(3)13(2)10-15(17)4/h10-11,16,19H,5-9,12H2,1-4H3.
What are the key properties of 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 62031653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).