1-(3-methylbut-2-enyl)piperidine-2-carboxamide

C11H20N2O — CID 173096807

IUPAC1-(3-methylbut-2-enyl)piperidine-2-carboxamide
SMILESCC(C)=CCN1CCCCC1C(N)=O
InChIInChI=1S/C11H20N2O/c1-9(2)6-8-13-7-4-3-5-10(13)11(12)14/h6,10H,3-5,7-8H2,1-2H3,(H2,12,14)
InChIKeyZDARLNCYTZPFJH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds3

About 1-(3-methylbut-2-enyl)piperidine-2-carboxamide

1-(3-methylbut-2-enyl)piperidine-2-carboxamide (PubChem CID 173096807) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)piperidine-2-carboxamide
PubChem CID173096807
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3-methylbut-2-enyl)piperidine-2-carboxamide
SMILESCC(C)=CCN1CCCCC1C(N)=O
InChIInChI=1S/C11H20N2O/c1-9(2)6-8-13-7-4-3-5-10(13)11(12)14/h6,10H,3-5,7-8H2,1-2H3,(H2,12,14)
InChIKeyZDARLNCYTZPFJH-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-methylbut-2-enyl)piperidine-2-carboxamide (CID 173096807) is 1-(3-methylbut-2-enyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-methylbut-2-enyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-methylbut-2-enyl)piperidine-2-carboxamide is CC(C)=CCN1CCCCC1C(N)=O.
What is the InChIKey of 1-(3-methylbut-2-enyl)piperidine-2-carboxamide?
The InChIKey is ZDARLNCYTZPFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)6-8-13-7-4-3-5-10(13)11(12)14/h6,10H,3-5,7-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-(3-methylbut-2-enyl)piperidine-2-carboxamide?
1-(3-methylbut-2-enyl)piperidine-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)piperidine-2-carboxamide is sourced from PubChem (CID 173096807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).