3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide

C11H21N3O — CID 4524843

IUPAC3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide
SMILESCC(C)CC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-9(2)8-11(15)13-12-10-4-6-14(3)7-5-10/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyTUJLCWJMJAHMQF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.23
Rot. Bonds3

About 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide

3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide (PubChem CID 4524843) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide
PubChem CID4524843
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide
SMILESCC(C)CC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-9(2)8-11(15)13-12-10-4-6-14(3)7-5-10/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyTUJLCWJMJAHMQF-UHFFFAOYSA-N
XLogP1.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide?
The IUPAC name of 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide (CID 4524843) is 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide?
The canonical SMILES for 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide is CC(C)CC(=O)NN=C1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide?
The InChIKey is TUJLCWJMJAHMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)8-11(15)13-12-10-4-6-14(3)7-5-10/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide?
3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide has a molecular weight of 211.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpiperidin-4-ylidene)amino]butanamide is sourced from PubChem (CID 4524843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).