2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide

C15H20N4O — CID 102984942

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)CN1CCC[C@@H](N)C1)c1ccccc1
InChIInChI=1S/C15H20N4O/c16-8-10-19(14-6-2-1-3-7-14)15(20)12-18-9-4-5-13(17)11-18/h1-3,6-7,13H,4-5,9-12,17H2/t13-/m1/s1
InChIKeyUNRUGAIUAJXUCT-CYBMUJFWSA-N
MW272.35 g/mol
LogP0.97
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide (PubChem CID 102984942) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
PubChem CID102984942
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)CN1CCC[C@@H](N)C1)c1ccccc1
InChIInChI=1S/C15H20N4O/c16-8-10-19(14-6-2-1-3-7-14)15(20)12-18-9-4-5-13(17)11-18/h1-3,6-7,13H,4-5,9-12,17H2/t13-/m1/s1
InChIKeyUNRUGAIUAJXUCT-CYBMUJFWSA-N
XLogP0.97
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(3,4-dihydroxypyrrolidin-1-yl)-N-phenylacetamide
CID 106672579
2-[1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616094
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(cyanomethyl)-N-phenylacetamide
CID 66211056
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
2-amino-4-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylbutanoic acid
CID 60919980
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 7958845
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 102870235
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide (CID 102984942) is 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide is N#CCN(C(=O)CN1CCC[C@@H](N)C1)c1ccccc1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
The InChIKey is UNRUGAIUAJXUCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-10-19(14-6-2-1-3-7-14)15(20)12-18-9-4-5-13(17)11-18/h1-3,6-7,13H,4-5,9-12,17H2/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 0.97, 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-(cyanomethyl)-N-phenylacetamide is sourced from PubChem (CID 102984942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).