N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide

C11H17N3O2 — CID 62122873

IUPACN-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)NCC#N)C1C
InChIInChI=1S/C11H17N3O2/c1-8-4-3-7-14(9(8)2)11(16)10(15)13-6-5-12/h8-9H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyUTNJSALRALDKMK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.27
Rot. Bonds1

About N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 62122873) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID62122873
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)NCC#N)C1C
InChIInChI=1S/C11H17N3O2/c1-8-4-3-7-14(9(8)2)11(16)10(15)13-6-5-12/h8-9H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyUTNJSALRALDKMK-UHFFFAOYSA-N
XLogP0.27
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoacetamide
CID 79937724
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 79005828
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
CID 103195511
N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 62943423
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
CID 43613314
N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide
CID 60973782
2-(cyclopentylamino)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040519

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 62122873) is N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CCCN(C(=O)C(=O)NCC#N)C1C.
What is the InChIKey of N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is UTNJSALRALDKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-3-7-14(9(8)2)11(16)10(15)13-6-5-12/h8-9H,3-4,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 62122873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).