2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide

C17H27N3O — CID 63255807

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
SMILESCC(N)C1CCCCN1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(18)16-10-6-7-11-20(16)13-17(21)19(2)12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3
InChIKeyDLCGRRXFYLBMKK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.85
Rot. Bonds5

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide (PubChem CID 63255807) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
PubChem CID63255807
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
SMILESCC(N)C1CCCCN1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(18)16-10-6-7-11-20(16)13-17(21)19(2)12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3
InChIKeyDLCGRRXFYLBMKK-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 111106959
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
2-(2-formylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62655146
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 63255496
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide (CID 63255807) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide is CC(N)C1CCCCN1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide?
The InChIKey is DLCGRRXFYLBMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(18)16-10-6-7-11-20(16)13-17(21)19(2)12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 63255807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).