4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide

C9H15N3O2 — CID 83265091

IUPAC4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(O)(C#N)CC1
InChIInChI=1S/C9H15N3O2/c1-11(2)8(13)12-5-3-9(14,7-10)4-6-12/h14H,3-6H2,1-2H3
InChIKeyPXAGQUQIPULBIK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.02
Rot. Bonds

About 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide

4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83265091) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83265091
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(O)(C#N)CC1
InChIInChI=1S/C9H15N3O2/c1-11(2)8(13)12-5-3-9(14,7-10)4-6-12/h14H,3-6H2,1-2H3
InChIKeyPXAGQUQIPULBIK-UHFFFAOYSA-N
XLogP0.02
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide (CID 83265091) is 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(O)(C#N)CC1.
What is the InChIKey of 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PXAGQUQIPULBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11(2)8(13)12-5-3-9(14,7-10)4-6-12/h14H,3-6H2,1-2H3.
What are the key properties of 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83265091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).