2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide

C17H26N2O — CID 110858213

IUPAC2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)17(14(3)9-12)18-16(20)10-15-6-5-7-19(4)11-15/h8-9,15H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyVRXBKTRXXQDIIZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.28
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 110858213) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID110858213
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)17(14(3)9-12)18-16(20)10-15-6-5-7-19(4)11-15/h8-9,15H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyVRXBKTRXXQDIIZ-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859779
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 79609586
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 110858213) is 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CC2CCCN(C)C2)c(C)c1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VRXBKTRXXQDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-13(2)17(14(3)9-12)18-16(20)10-15-6-5-7-19(4)11-15/h8-9,15H,5-7,10-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 110858213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).