1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide

C11H16N4O3 — CID 103195511

IUPAC1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(=O)NCC#N)C1
InChIInChI=1S/C11H16N4O3/c1-13-9(16)8-3-2-6-15(7-8)11(18)10(17)14-5-4-12/h8H,2-3,5-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyPXTSKYIDNUJIMQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.39
Rot. Bonds2

About 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide

1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103195511) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
PubChem CID103195511
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(=O)NCC#N)C1
InChIInChI=1S/C11H16N4O3/c1-13-9(16)8-3-2-6-15(7-8)11(18)10(17)14-5-4-12/h8H,2-3,5-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyPXTSKYIDNUJIMQ-UHFFFAOYSA-N
XLogP-1.39
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(cyanomethylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 43316014
2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981
N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 62943423
N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide
CID 130957847
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103195246
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide (CID 103195511) is 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C(=O)NCC#N)C1.
What is the InChIKey of 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is PXTSKYIDNUJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-13-9(16)8-3-2-6-15(7-8)11(18)10(17)14-5-4-12/h8H,2-3,5-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide?
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).