N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide

C11H17N3O2 — CID 114500477

IUPACN-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCCC#N)CCC1=O
InChIInChI=1S/C11H17N3O2/c1-9-7-14(6-3-10(9)15)8-11(16)13-5-2-4-12/h9H,2-3,5-8H2,1H3,(H,13,16)
InChIKeyWBZHZOQEPGDJIB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.07
Rot. Bonds4

About N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide

N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide (PubChem CID 114500477) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
PubChem CID114500477
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCCC#N)CCC1=O
InChIInChI=1S/C11H17N3O2/c1-9-7-14(6-3-10(9)15)8-11(16)13-5-2-4-12/h9H,2-3,5-8H2,1H3,(H,13,16)
InChIKeyWBZHZOQEPGDJIB-UHFFFAOYSA-N
XLogP-0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide (CID 114500477) is N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide is CC1CN(CC(=O)NCCC#N)CCC1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
The InChIKey is WBZHZOQEPGDJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-7-14(6-3-10(9)15)8-11(16)13-5-2-4-12/h9H,2-3,5-8H2,1H3,(H,13,16).
What are the key properties of N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 114500477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).