N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide

C12H23N3O2 — CID 96554531

IUPACN-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1CCCN(C(=O)CN)C1)C(C)=O
InChIInChI=1S/C12H23N3O2/c1-3-14(10(2)16)8-11-5-4-6-15(9-11)12(17)7-13/h11H,3-9,13H2,1-2H3/t11-/m0/s1
InChIKeyBOTORAFDGUFMEX-NSHDSACASA-N
MW241.33 g/mol
LogP0.05
Rot. Bonds4

About N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide

N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide (PubChem CID 96554531) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
PubChem CID96554531
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1CCCN(C(=O)CN)C1)C(C)=O
InChIInChI=1S/C12H23N3O2/c1-3-14(10(2)16)8-11-5-4-6-15(9-11)12(17)7-13/h11H,3-9,13H2,1-2H3/t11-/m0/s1
InChIKeyBOTORAFDGUFMEX-NSHDSACASA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
N-[[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-ethylacetamide
CID 96887284
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566198
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
N-ethyl-N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]acetamide
CID 66567340
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide (CID 96554531) is N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide is CCN(C[C@@H]1CCCN(C(=O)CN)C1)C(C)=O.
What is the InChIKey of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide?
The InChIKey is BOTORAFDGUFMEX-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-14(10(2)16)8-11-5-4-6-15(9-11)12(17)7-13/h11H,3-9,13H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide?
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide has a molecular weight of 241.33 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 96554531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).