4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C16H23NO4 — CID 151238234

IUPAC4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCCC12C=CC(C1)C(C(=O)O)C2C(=O)ON1CCCCC1
InChIInChI=1S/C16H23NO4/c1-2-16-7-6-11(10-16)12(14(18)19)13(16)15(20)21-17-8-4-3-5-9-17/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,19)
InChIKeyNPTBWWXBTASBPI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.23
Rot. Bonds4

About 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 151238234) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID151238234
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCCC12C=CC(C1)C(C(=O)O)C2C(=O)ON1CCCCC1
InChIInChI=1S/C16H23NO4/c1-2-16-7-6-11(10-16)12(14(18)19)13(16)15(20)21-17-8-4-3-5-9-17/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,19)
InChIKeyNPTBWWXBTASBPI-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 151238234) is 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is CCC12C=CC(C1)C(C(=O)O)C2C(=O)ON1CCCCC1.
What is the InChIKey of 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is NPTBWWXBTASBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-16-7-6-11(10-16)12(14(18)19)13(16)15(20)21-17-8-4-3-5-9-17/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 151238234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).