2-(3-formylpiperidin-1-yl)-2-oxoacetamide

C8H12N2O3 — CID 87723708

IUPAC2-(3-formylpiperidin-1-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCCC(C=O)C1
InChIInChI=1S/C8H12N2O3/c9-7(12)8(13)10-3-1-2-6(4-10)5-11/h5-6H,1-4H2,(H2,9,12)
InChIKeyJJOOGHCDUFAFAV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.09
Rot. Bonds1

About 2-(3-formylpiperidin-1-yl)-2-oxoacetamide

2-(3-formylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 87723708) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-2-oxoacetamide
PubChem CID87723708
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(3-formylpiperidin-1-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCCC(C=O)C1
InChIInChI=1S/C8H12N2O3/c9-7(12)8(13)10-3-1-2-6(4-10)5-11/h5-6H,1-4H2,(H2,9,12)
InChIKeyJJOOGHCDUFAFAV-UHFFFAOYSA-N
XLogP-1.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde
CID 55268668
2-oxo-2-piperidin-1-ylacetamide
CID 22394328
piperidine-1,3-dicarbaldehyde
CID 143116896
(3S)-1-acetylpyrrolidine-3-carbaldehyde
CID 93496150
1-(2-bromobenzoyl)piperidine-3-carbaldehyde
CID 82023409
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
CID 82023420
N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide
CID 62655138
(3S)-1-prop-2-enoylpyrrolidine-3-carbaldehyde
CID 166115678
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
3-formyl-N-methylpyrrolidine-1-carboxamide
CID 90692240

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-2-oxoacetamide (CID 87723708) is 2-(3-formylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-2-oxoacetamide is NC(=O)C(=O)N1CCCC(C=O)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is JJOOGHCDUFAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-7(12)8(13)10-3-1-2-6(4-10)5-11/h5-6H,1-4H2,(H2,9,12).
What are the key properties of 2-(3-formylpiperidin-1-yl)-2-oxoacetamide?
2-(3-formylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 184.19 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 87723708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).