1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C11H17NO3 — CID 62096399

IUPAC1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCCCC2)CCC1
InChIInChI=1S/C11H17NO3/c13-9(12-7-2-1-3-8-12)11(10(14)15)5-4-6-11/h1-8H2,(H,14,15)
InChIKeyBYASSMRWIAJWOK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds2

About 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid

1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 62096399) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID62096399
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCCCC2)CCC1
InChIInChI=1S/C11H17NO3/c13-9(12-7-2-1-3-8-12)11(10(14)15)5-4-6-11/h1-8H2,(H,14,15)
InChIKeyBYASSMRWIAJWOK-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097632
1-(1,4-diazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096963
4-(azetidine-1-carbonyl)oxane-4-carboxylic acid
CID 164660114
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120691009
1-(1,4-thiazepane-4-carbonyl)cyclopropane-1-carboxylic acid
CID 62095410
(1-fluorocyclobutyl)-piperidin-1-ylmethanone
CID 126992878
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 62096399) is 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)N2CCCCC2)CCC1.
What is the InChIKey of 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is BYASSMRWIAJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9(12-7-2-1-3-8-12)11(10(14)15)5-4-6-11/h1-8H2,(H,14,15).
What are the key properties of 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).