2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide

C11H20N4O — CID 63846958

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)NCC#N)C1
InChIInChI=1S/C11H20N4O/c1-9(13)10-3-2-6-15(7-10)8-11(16)14-5-4-12/h9-10H,2-3,5-8,13H2,1H3,(H,14,16)
InChIKeyDGTOETRHXZJXPS-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.31
Rot. Bonds4

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide (PubChem CID 63846958) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
PubChem CID63846958
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)NCC#N)C1
InChIInChI=1S/C11H20N4O/c1-9(13)10-3-2-6-15(7-10)8-11(16)14-5-4-12/h9-10H,2-3,5-8,13H2,1H3,(H,14,16)
InChIKeyDGTOETRHXZJXPS-UHFFFAOYSA-N
XLogP-0.31
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
CID 63847341
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
2-[1-[2-(cyanomethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684074
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide;hydrochloride
CID 119925580
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119925543

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide (CID 63846958) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide is CC(N)C1CCCN(CC(=O)NCC#N)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide?
The InChIKey is DGTOETRHXZJXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(13)10-3-2-6-15(7-10)8-11(16)14-5-4-12/h9-10H,2-3,5-8,13H2,1H3,(H,14,16).
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 63846958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).