2-methyl-N-(piperidine-4-carboximidoyl)propanamide

C10H19N3O — CID 173465793

IUPAC2-methyl-N-(piperidine-4-carboximidoyl)propanamide
SMILES[H]/N=C(\NC(=O)C(C)C)C1CCNCC1
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-9(11)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyXEVFNEFLASWEEJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.74
Rot. Bonds2

About 2-methyl-N-(piperidine-4-carboximidoyl)propanamide

2-methyl-N-(piperidine-4-carboximidoyl)propanamide (PubChem CID 173465793) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-(piperidine-4-carboximidoyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(piperidine-4-carboximidoyl)propanamide
PubChem CID173465793
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-N-(piperidine-4-carboximidoyl)propanamide
SMILES[H]/N=C(\NC(=O)C(C)C)C1CCNCC1
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-9(11)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyXEVFNEFLASWEEJ-UHFFFAOYSA-N
XLogP0.74
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-methyl-N-(piperidine-4-carboximidoyl)propanamide?
The IUPAC name of 2-methyl-N-(piperidine-4-carboximidoyl)propanamide (CID 173465793) is 2-methyl-N-(piperidine-4-carboximidoyl)propanamide.
What is the SMILES notation for 2-methyl-N-(piperidine-4-carboximidoyl)propanamide?
The canonical SMILES for 2-methyl-N-(piperidine-4-carboximidoyl)propanamide is [H]/N=C(\NC(=O)C(C)C)C1CCNCC1.
What is the InChIKey of 2-methyl-N-(piperidine-4-carboximidoyl)propanamide?
The InChIKey is XEVFNEFLASWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)10(14)13-9(11)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-methyl-N-(piperidine-4-carboximidoyl)propanamide?
2-methyl-N-(piperidine-4-carboximidoyl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidine-4-carboximidoyl)propanamide is sourced from PubChem (CID 173465793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).