1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid

C15H22N2O4 — CID 142338245

IUPAC1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H22N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-2,11-12H,3-10H2,(H,16,19)(H,20,21)
InChIKeyPYGDFOJDNAEULX-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.78
Rot. Bonds4

About 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 142338245) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID142338245
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H22N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-2,11-12H,3-10H2,(H,16,19)(H,20,21)
InChIKeyPYGDFOJDNAEULX-UHFFFAOYSA-N
XLogP0.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
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 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid (CID 142338245) is 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CNC(=O)C2CC=CCC2)CC1.
What is the InChIKey of 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is PYGDFOJDNAEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-2,11-12H,3-10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 142338245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).