2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide

C12H20N4O — CID 45105888

IUPAC2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide
SMILESCC1(C)CC(=NNC(=O)CC#N)CC(C)(C)N1
InChIInChI=1S/C12H20N4O/c1-11(2)7-9(8-12(3,4)16-11)14-15-10(17)5-6-13/h16H,5,7-8H2,1-4H3,(H,15,17)
InChIKeyMZGKIFKSAHQZRP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.31
Rot. Bonds2

About 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide

2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide (PubChem CID 45105888) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide
PubChem CID45105888
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide
SMILESCC1(C)CC(=NNC(=O)CC#N)CC(C)(C)N1
InChIInChI=1S/C12H20N4O/c1-11(2)7-9(8-12(3,4)16-11)14-15-10(17)5-6-13/h16H,5,7-8H2,1-4H3,(H,15,17)
InChIKeyMZGKIFKSAHQZRP-UHFFFAOYSA-N
XLogP1.31
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide 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

N'-(2,2,6,6-Tetramethyl-4-piperidinylidene)acetohydrazide
CID 677022
N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 6920285
2-cyano-N-[(Z)-[(2R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino]acetamide
CID 7437976
2-cyano-N-[(Z)-[(2S,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino]acetamide
CID 7437982
2-cyano-N-[(Z)-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino]acetamide
CID 7437984
2-cyano-N-[(Z)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino]acetamide
CID 7437987

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide (CID 45105888) is 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide is CC1(C)CC(=NNC(=O)CC#N)CC(C)(C)N1.
What is the InChIKey of 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is MZGKIFKSAHQZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-11(2)7-9(8-12(3,4)16-11)14-15-10(17)5-6-13/h16H,5,7-8H2,1-4H3,(H,15,17).
What are the key properties of 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide?
2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 45105888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).