2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C20H31N3O2 — CID 78860531

IUPAC2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CCC(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C20H31N3O2/c1-15-12-16(2)20(17(3)13-15)21-18(24)14-22(4)11-8-19(25)23-9-6-5-7-10-23/h12-13H,5-11,14H2,1-4H3,(H,21,24)
InChIKeyGRCSFUIBYAJSOB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.88
Rot. Bonds6

About 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 78860531) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID78860531
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CCC(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C20H31N3O2/c1-15-12-16(2)20(17(3)13-15)21-18(24)14-22(4)11-8-19(25)23-9-6-5-7-10-23/h12-13H,5-11,14H2,1-4H3,(H,21,24)
InChIKeyGRCSFUIBYAJSOB-UHFFFAOYSA-N
XLogP2.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 11930399
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 78860531) is 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)CCC(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GRCSFUIBYAJSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-12-16(2)20(17(3)13-15)21-18(24)14-22(4)11-8-19(25)23-9-6-5-7-10-23/h12-13H,5-11,14H2,1-4H3,(H,21,24).
What are the key properties of 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 78860531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).