6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H24N2O3 — CID 16790610

IUPAC6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN1CCC(N(C)C(=O)C2CC=CCC2C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,11-13H,5-10H2,1-2H3,(H,19,20)
InChIKeyWOUSNOQIFRXXED-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.21
Rot. Bonds3

About 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 16790610) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID16790610
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN1CCC(N(C)C(=O)C2CC=CCC2C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,11-13H,5-10H2,1-2H3,(H,19,20)
InChIKeyWOUSNOQIFRXXED-UHFFFAOYSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.21
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 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 16790610) is 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CN1CCC(N(C)C(=O)C2CC=CCC2C(=O)O)CC1.
What is the InChIKey of 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is WOUSNOQIFRXXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,11-13H,5-10H2,1-2H3,(H,19,20).
What are the key properties of 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 16790610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).