1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid

C14H19NO5 — CID 115918261

IUPAC1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)CC2C=CCC2)CC1C(=O)O
InChIInChI=1S/C14H19NO5/c16-12(7-9-3-1-2-4-9)15-6-5-10(13(17)18)11(8-15)14(19)20/h1,3,9-11H,2,4-8H2,(H,17,18)(H,19,20)
InChIKeyFVIBUKCFUVVZPK-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.98
Rot. Bonds4

About 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid

1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918261) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918261
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)CC2C=CCC2)CC1C(=O)O
InChIInChI=1S/C14H19NO5/c16-12(7-9-3-1-2-4-9)15-6-5-10(13(17)18)11(8-15)14(19)20/h1,3,9-11H,2,4-8H2,(H,17,18)(H,19,20)
InChIKeyFVIBUKCFUVVZPK-UHFFFAOYSA-N
XLogP0.98
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 79879749
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515358
(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61137940
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323252
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
CID 79034852
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
CID 78919267
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918559
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid (CID 115918261) is 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)CC2C=CCC2)CC1C(=O)O.
What is the InChIKey of 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is FVIBUKCFUVVZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c16-12(7-9-3-1-2-4-9)15-6-5-10(13(17)18)11(8-15)14(19)20/h1,3,9-11H,2,4-8H2,(H,17,18)(H,19,20).
What are the key properties of 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid?
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).