1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid

C13H22N2O3 — CID 55034653

IUPAC1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCN2CCCCC2)CCC1
InChIInChI=1S/C13H22N2O3/c16-11(13(12(17)18)5-4-6-13)14-7-10-15-8-2-1-3-9-15/h1-10H2,(H,14,16)(H,17,18)
InChIKeyJKLUYEWIWLASKX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds5

About 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 55034653) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID55034653
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCN2CCCCC2)CCC1
InChIInChI=1S/C13H22N2O3/c16-11(13(12(17)18)5-4-6-13)14-7-10-15-8-2-1-3-9-15/h1-10H2,(H,14,16)(H,17,18)
InChIKeyJKLUYEWIWLASKX-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 112622922
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097465
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
1-[2-(1-methylpyrrolidin-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183879
1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 55034653) is 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NCCN2CCCCC2)CCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is JKLUYEWIWLASKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(13(12(17)18)5-4-6-13)14-7-10-15-8-2-1-3-9-15/h1-10H2,(H,14,16)(H,17,18).
What are the key properties of 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55034653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).