2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide

C17H27N3O — CID 81452559

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)Cc2ccccc2)CCC1N
InChIInChI=1S/C17H27N3O/c1-3-15-12-20(10-9-16(15)18)13-17(21)19(2)11-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13,18H2,1-2H3
InChIKeyXNMRXYCQOSOOMZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.70
Rot. Bonds5

About 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide

2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide (PubChem CID 81452559) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
PubChem CID81452559
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)Cc2ccccc2)CCC1N
InChIInChI=1S/C17H27N3O/c1-3-15-12-20(10-9-16(15)18)13-17(21)19(2)11-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13,18H2,1-2H3
InChIKeyXNMRXYCQOSOOMZ-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 81458982
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
2-(4-amino-3-ethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 81451259
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773430

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide (CID 81452559) is 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide is CCC1CN(CC(=O)N(C)Cc2ccccc2)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide?
The InChIKey is XNMRXYCQOSOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15-12-20(10-9-16(15)18)13-17(21)19(2)11-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13,18H2,1-2H3.
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide?
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide is sourced from PubChem (CID 81452559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).