N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide

C9H13N3O2 — CID 515621

IUPACN-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide
SMILESN#CCCNC(=O)C1CCCC(=O)N1
InChIInChI=1S/C9H13N3O2/c10-5-2-6-11-9(14)7-3-1-4-8(13)12-7/h7H,1-4,6H2,(H,11,14)(H,12,13)
InChIKeyLPDATMFSSWTHFF-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.32
Rot. Bonds3

About N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide

N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide (PubChem CID 515621) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide
PubChem CID515621
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide
SMILESN#CCCNC(=O)C1CCCC(=O)N1
InChIInChI=1S/C9H13N3O2/c10-5-2-6-11-9(14)7-3-1-4-8(13)12-7/h7H,1-4,6H2,(H,11,14)(H,12,13)
InChIKeyLPDATMFSSWTHFF-UHFFFAOYSA-N
XLogP-0.32
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide (CID 515621) is N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide is N#CCCNC(=O)C1CCCC(=O)N1.
What is the InChIKey of N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide?
The InChIKey is LPDATMFSSWTHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-5-2-6-11-9(14)7-3-1-4-8(13)12-7/h7H,1-4,6H2,(H,11,14)(H,12,13).
What are the key properties of N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide?
N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 515621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).