4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63784522

IUPAC4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(12-4-6-13(7-5-12)15(19)20)16-8-11-17-9-2-1-3-10-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyGIKAYLPJJRFMKC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds5

About 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63784522) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63784522
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(12-4-6-13(7-5-12)15(19)20)16-8-11-17-9-2-1-3-10-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyGIKAYLPJJRFMKC-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63784522) is 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCN2CCCCC2)CC1.
What is the InChIKey of 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is GIKAYLPJJRFMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(12-4-6-13(7-5-12)15(19)20)16-8-11-17-9-2-1-3-10-17/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).