1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid

C16H25NO3 — CID 63134457

IUPAC1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C16H25NO3/c1-2-8-16(15(19)20)9-5-10-17(12-16)14(18)11-13-6-3-4-7-13/h3,6,13H,2,4-5,7-12H2,1H3,(H,19,20)
InChIKeyGSNWOOMNBGCNRQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid

1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63134457) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63134457
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C16H25NO3/c1-2-8-16(15(19)20)9-5-10-17(12-16)14(18)11-13-6-3-4-7-13/h3,6,13H,2,4-5,7-12H2,1H3,(H,19,20)
InChIKeyGSNWOOMNBGCNRQ-UHFFFAOYSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.84
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-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid (CID 63134457) is 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)CC2C=CCC2)C1.
What is the InChIKey of 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is GSNWOOMNBGCNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-8-16(15(19)20)9-5-10-17(12-16)14(18)11-13-6-3-4-7-13/h3,6,13H,2,4-5,7-12H2,1H3,(H,19,20).
What are the key properties of 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopent-2-en-1-ylacetyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).