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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Related Compounds

6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4659978
6-(Pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 645904
6-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6470296
6-[(Dibutylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 2884884
6-(Cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2901796
2,4-Dimethyl-6-[(4-methylpiperazin-1-yl)carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 2872348
6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 21948
6-(4-Methylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 3148332
(4aS,8R,8aS)-2-cyclopropyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid
CID 59529020
(4aS,8R,8aS)-2-butyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid
CID 59529042
(4aS,8R,8aS)-2-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid
CID 59529046
2-Cyclopropyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid
CID 24867908

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).