4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid

C16H25NO4 — CID 91576886

IUPAC4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid
SMILESC=C(CC(C(=O)OCC)C1CCN(C(=O)O)CC1)C1CC1
InChIInChI=1S/C16H25NO4/c1-3-21-15(18)14(10-11(2)12-4-5-12)13-6-8-17(9-7-13)16(19)20/h12-14H,2-10H2,1H3,(H,19,20)
InChIKeyINYRNLVPDOBRNA-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.91
Rot. Bonds6

About 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid

4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid (PubChem CID 91576886) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid
PubChem CID91576886
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid
SMILESC=C(CC(C(=O)OCC)C1CCN(C(=O)O)CC1)C1CC1
InChIInChI=1S/C16H25NO4/c1-3-21-15(18)14(10-11(2)12-4-5-12)13-6-8-17(9-7-13)16(19)20/h12-14H,2-10H2,1H3,(H,19,20)
InChIKeyINYRNLVPDOBRNA-UHFFFAOYSA-N
XLogP2.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid (CID 91576886) is 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid is C=C(CC(C(=O)OCC)C1CCN(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid?
The InChIKey is INYRNLVPDOBRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-3-21-15(18)14(10-11(2)12-4-5-12)13-6-8-17(9-7-13)16(19)20/h12-14H,2-10H2,1H3,(H,19,20).
What are the key properties of 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid?
4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-1-ethoxy-1-oxopent-4-en-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91576886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).