1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid

C14H21NO3 — CID 55213931

IUPAC1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C14H21NO3/c16-13(10-11-6-2-1-3-7-11)15-9-5-4-8-12(15)14(17)18/h6,12H,1-5,7-10H2,(H,17,18)
InChIKeyRRSUJWSLYLQSFZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 55213931) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID55213931
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C14H21NO3/c16-13(10-11-6-2-1-3-7-11)15-9-5-4-8-12(15)14(17)18/h6,12H,1-5,7-10H2,(H,17,18)
InChIKeyRRSUJWSLYLQSFZ-UHFFFAOYSA-N
XLogP2.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.34
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-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid (CID 55213931) is 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)CC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is RRSUJWSLYLQSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-13(10-11-6-2-1-3-7-11)15-9-5-4-8-12(15)14(17)18/h6,12H,1-5,7-10H2,(H,17,18).
What are the key properties of 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 55213931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).