3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide

C11H20N2O2 — CID 62654927

IUPAC3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCCC(C=O)C1
InChIInChI=1S/C11H20N2O2/c1-12(2)11(15)5-7-13-6-3-4-10(8-13)9-14/h9-10H,3-8H2,1-2H3
InChIKeyJIZORGNWPHRAQI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds4

About 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide

3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 62654927) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
PubChem CID62654927
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCCC(C=O)C1
InChIInChI=1S/C11H20N2O2/c1-12(2)11(15)5-7-13-6-3-4-10(8-13)9-14/h9-10H,3-8H2,1-2H3
InChIKeyJIZORGNWPHRAQI-UHFFFAOYSA-N
XLogP0.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide
CID 62655138
1-decylpiperidine-3-carbaldehyde
CID 55195177
1-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62371563
1-(3-fluoropropyl)piperidine-3-carbaldehyde
CID 81114403
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62655482

Frequently Asked Questions

What is the IUPAC name of 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide (CID 62654927) is 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCCC(C=O)C1.
What is the InChIKey of 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is JIZORGNWPHRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12(2)11(15)5-7-13-6-3-4-10(8-13)9-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide?
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 62654927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).