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'}

Analyze 4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
CID 126992140
4-(difluoromethyl)-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83266382
N,N-dimethyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605545
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479
4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide
CID 83268982
3-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]propanoic acid
CID 83266385
N,N,8,11-tetramethyl-3,8,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 168983400
4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
CID 83269180
1-benzoyl-4-hydroxypiperidine-4-carbonitrile
CID 13284424
2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
CID 83266074
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-hydroxycyclopropane-1-carbonitrile
CID 12609619

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).