1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid

C14H19NO4 — CID 86209320

IUPAC1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid
SMILESCOC(=O)N1C=CC(C2(C(=O)O)CCCCC2)C=C1
InChIInChI=1S/C14H19NO4/c1-19-13(18)15-9-5-11(6-10-15)14(12(16)17)7-3-2-4-8-14/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyXQNCWGKCCQWJDC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.75
Rot. Bonds2

About 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid

1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 86209320) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid
PubChem CID86209320
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid
SMILESCOC(=O)N1C=CC(C2(C(=O)O)CCCCC2)C=C1
InChIInChI=1S/C14H19NO4/c1-19-13(18)15-9-5-11(6-10-15)14(12(16)17)7-3-2-4-8-14/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyXQNCWGKCCQWJDC-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid (CID 86209320) is 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid is COC(=O)N1C=CC(C2(C(=O)O)CCCCC2)C=C1.
What is the InChIKey of 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XQNCWGKCCQWJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-13(18)15-9-5-11(6-10-15)14(12(16)17)7-3-2-4-8-14/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid?
1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycarbonyl-4H-pyridin-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 86209320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).