2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C13H21N3O2 — CID 102984585

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C13H21N3O2/c1-15(9-12-5-3-7-18-12)13(17)10-16-6-2-4-11(14)8-16/h3,5,7,11H,2,4,6,8-10,14H2,1H3/t11-/m1/s1
InChIKeyXVEYKPJJCVJXAP-LLVKDONJSA-N
MW251.33 g/mol
LogP0.66
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 102984585) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID102984585
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C13H21N3O2/c1-15(9-12-5-3-7-18-12)13(17)10-16-6-2-4-11(14)8-16/h3,5,7,11H,2,4,6,8-10,14H2,1H3/t11-/m1/s1
InChIKeyXVEYKPJJCVJXAP-LLVKDONJSA-N
XLogP0.66
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760400
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 96514191
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
N-(furan-2-ylmethyl)-N-methyl-2-[(3S)-3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]acetamide
CID 95780908
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 102984585) is 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is XVEYKPJJCVJXAP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(9-12-5-3-7-18-12)13(17)10-16-6-2-4-11(14)8-16/h3,5,7,11H,2,4,6,8-10,14H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 102984585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).