4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid

C10H15NO4 — CID 87582095

IUPAC4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid
SMILESO=CC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H15NO4/c12-7-8-3-5-11(6-4-8)9(13)1-2-10(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyFOGLRZILMNREBW-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.29
Rot. Bonds4

About 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid

4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 87582095) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID87582095
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid
SMILESO=CC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H15NO4/c12-7-8-3-5-11(6-4-8)9(13)1-2-10(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyFOGLRZILMNREBW-UHFFFAOYSA-N
XLogP0.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129393375
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid (CID 87582095) is 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid is O=CC1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is FOGLRZILMNREBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-7-8-3-5-11(6-4-8)9(13)1-2-10(14)15/h7-8H,1-6H2,(H,14,15).
What are the key properties of 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid?
4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 87582095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).