3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide

C11H18N4O — CID 12502628

IUPAC3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide
SMILESCCNC(=O)C/C(=N\C#N)N1CCCCC1
InChIInChI=1S/C11H18N4O/c1-2-13-11(16)8-10(14-9-12)15-6-4-3-5-7-15/h2-8H2,1H3,(H,13,16)/b14-10+
InChIKeyDKRXBNMFGSCQIN-GXDHUFHOSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds3

About 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide

3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide (PubChem CID 12502628) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide
PubChem CID12502628
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide
SMILESCCNC(=O)C/C(=N\C#N)N1CCCCC1
InChIInChI=1S/C11H18N4O/c1-2-13-11(16)8-10(14-9-12)15-6-4-3-5-7-15/h2-8H2,1H3,(H,13,16)/b14-10+
InChIKeyDKRXBNMFGSCQIN-GXDHUFHOSA-N
XLogP0.88
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide?
The IUPAC name of 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide (CID 12502628) is 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide.
What is the SMILES notation for 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide?
The canonical SMILES for 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide is CCNC(=O)C/C(=N\C#N)N1CCCCC1.
What is the InChIKey of 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide?
The InChIKey is DKRXBNMFGSCQIN-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-13-11(16)8-10(14-9-12)15-6-4-3-5-7-15/h2-8H2,1H3,(H,13,16)/b14-10+.
What are the key properties of 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide?
3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanoimino-N-ethyl-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 12502628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).