N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide

C13H25N3O — CID 156523477

IUPACN-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide
SMILESC/N=C(\NC(=O)C(C)C)C1(C)CCNCC1C
InChIInChI=1S/C13H25N3O/c1-9(2)11(17)16-12(14-5)13(4)6-7-15-8-10(13)3/h9-10,15H,6-8H2,1-5H3,(H,14,16,17)
InChIKeyASEIWQBCZNDSRS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.42
Rot. Bonds2

About N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide

N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide (PubChem CID 156523477) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide
PubChem CID156523477
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide
SMILESC/N=C(\NC(=O)C(C)C)C1(C)CCNCC1C
InChIInChI=1S/C13H25N3O/c1-9(2)11(17)16-12(14-5)13(4)6-7-15-8-10(13)3/h9-10,15H,6-8H2,1-5H3,(H,14,16,17)
InChIKeyASEIWQBCZNDSRS-UHFFFAOYSA-N
XLogP1.42
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide?
The IUPAC name of N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide (CID 156523477) is N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide.
What is the SMILES notation for N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide?
The canonical SMILES for N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide is C/N=C(\NC(=O)C(C)C)C1(C)CCNCC1C.
What is the InChIKey of N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide?
The InChIKey is ASEIWQBCZNDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)11(17)16-12(14-5)13(4)6-7-15-8-10(13)3/h9-10,15H,6-8H2,1-5H3,(H,14,16,17).
What are the key properties of N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide?
N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide is sourced from PubChem (CID 156523477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).