N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide

C12H25N3O — CID 96554442

IUPACN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1CCCN(CCN)C1)C(C)=O
InChIInChI=1S/C12H25N3O/c1-3-15(11(2)16)10-12-5-4-7-14(9-12)8-6-13/h12H,3-10,13H2,1-2H3/t12-/m1/s1
InChIKeyYRIYKRMMITZJDZ-GFCCVEGCSA-N
MW227.35 g/mol
LogP0.53
Rot. Bonds5

About N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide

N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide (PubChem CID 96554442) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
PubChem CID96554442
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1CCCN(CCN)C1)C(C)=O
InChIInChI=1S/C12H25N3O/c1-3-15(11(2)16)10-12-5-4-7-14(9-12)8-6-13/h12H,3-10,13H2,1-2H3/t12-/m1/s1
InChIKeyYRIYKRMMITZJDZ-GFCCVEGCSA-N
XLogP0.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554531
N-ethyl-N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]acetamide
CID 66567340
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
CID 66567411
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
CID 96554802
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
N-[[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-ethylacetamide
CID 96887284
N,N-diethyl-4-[3-(2-hydroxyethyl)piperidin-1-yl]butanamide
CID 62356650

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide (CID 96554442) is N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide is CCN(C[C@@H]1CCCN(CCN)C1)C(C)=O.
What is the InChIKey of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide?
The InChIKey is YRIYKRMMITZJDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-15(11(2)16)10-12-5-4-7-14(9-12)8-6-13/h12H,3-10,13H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide?
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 96554442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).