N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide

C11H23N3O — CID 71304532

IUPACN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1CCN(CCN)CC1
InChIInChI=1S/C11H23N3O/c1-10(15)13(2)9-11-3-6-14(7-4-11)8-5-12/h11H,3-9,12H2,1-2H3
InChIKeyIZEGAWYJQFJSAY-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.14
Rot. Bonds4

About N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 71304532) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID71304532
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1CCN(CCN)CC1
InChIInChI=1S/C11H23N3O/c1-10(15)13(2)9-11-3-6-14(7-4-11)8-5-12/h11H,3-9,12H2,1-2H3
InChIKeyIZEGAWYJQFJSAY-UHFFFAOYSA-N
XLogP0.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 115214466
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
CID 115214528
N-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]acetamide
CID 166429795
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
CID 163401097
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide (CID 71304532) is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide is CC(=O)N(C)CC1CCN(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is IZEGAWYJQFJSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(15)13(2)9-11-3-6-14(7-4-11)8-5-12/h11H,3-9,12H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide?
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 71304532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).