2-(2-iminopiperidin-1-yl)-3-methylbutanamide

C10H19N3O — CID 106345837

IUPAC2-(2-iminopiperidin-1-yl)-3-methylbutanamide
SMILES[H]/N=C1\CCCCN1C(C(N)=O)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)9(10(12)14)13-6-4-3-5-8(13)11/h7,9,11H,3-6H2,1-2H3,(H2,12,14)/b11-8+
InChIKeyNKJQSUGDWYIQGL-DHZHZOJOSA-N
MW197.28 g/mol
LogP0.96
Rot. Bonds3

About 2-(2-iminopiperidin-1-yl)-3-methylbutanamide

2-(2-iminopiperidin-1-yl)-3-methylbutanamide (PubChem CID 106345837) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-iminopiperidin-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-iminopiperidin-1-yl)-3-methylbutanamide
PubChem CID106345837
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-iminopiperidin-1-yl)-3-methylbutanamide
SMILES[H]/N=C1\CCCCN1C(C(N)=O)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)9(10(12)14)13-6-4-3-5-8(13)11/h7,9,11H,3-6H2,1-2H3,(H2,12,14)/b11-8+
InChIKeyNKJQSUGDWYIQGL-DHZHZOJOSA-N
XLogP0.96
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopiperidin-1-yl)-3-methylbutanamide?
The IUPAC name of 2-(2-iminopiperidin-1-yl)-3-methylbutanamide (CID 106345837) is 2-(2-iminopiperidin-1-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(2-iminopiperidin-1-yl)-3-methylbutanamide?
The canonical SMILES for 2-(2-iminopiperidin-1-yl)-3-methylbutanamide is [H]/N=C1\CCCCN1C(C(N)=O)C(C)C.
What is the InChIKey of 2-(2-iminopiperidin-1-yl)-3-methylbutanamide?
The InChIKey is NKJQSUGDWYIQGL-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)9(10(12)14)13-6-4-3-5-8(13)11/h7,9,11H,3-6H2,1-2H3,(H2,12,14)/b11-8+.
What are the key properties of 2-(2-iminopiperidin-1-yl)-3-methylbutanamide?
2-(2-iminopiperidin-1-yl)-3-methylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopiperidin-1-yl)-3-methylbutanamide is sourced from PubChem (CID 106345837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).