1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid

C11H18N2O4 — CID 118209355

IUPAC1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(N)=O)(C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-3-8(14)13-6-4-11(5-7-13,9(12)15)10(16)17/h2-7H2,1H3,(H2,12,15)(H,16,17)
InChIKeyCJLRYAJFEZPDOU-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.03
Rot. Bonds4

About 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid

1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid (PubChem CID 118209355) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid
PubChem CID118209355
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(N)=O)(C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-3-8(14)13-6-4-11(5-7-13,9(12)15)10(16)17/h2-7H2,1H3,(H2,12,15)(H,16,17)
InChIKeyCJLRYAJFEZPDOU-UHFFFAOYSA-N
XLogP-0.03
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid (CID 118209355) is 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid is CCCC(=O)N1CCC(C(N)=O)(C(=O)O)CC1.
What is the InChIKey of 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid?
The InChIKey is CJLRYAJFEZPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-3-8(14)13-6-4-11(5-7-13,9(12)15)10(16)17/h2-7H2,1H3,(H2,12,15)(H,16,17).
What are the key properties of 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid?
1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-4-carbamoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 118209355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).