4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid

C10H16N2O3 — CID 174559500

IUPAC4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid
SMILESC=CCNC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-2-5-11-9(13)8-3-6-12(7-4-8)10(14)15/h2,8H,1,3-7H2,(H,11,13)(H,14,15)
InChIKeyXFSCDQCKDVBPFR-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds3

About 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid

4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid (PubChem CID 174559500) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid
PubChem CID174559500
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid
SMILESC=CCNC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-2-5-11-9(13)8-3-6-12(7-4-8)10(14)15/h2,8H,1,3-7H2,(H,11,13)(H,14,15)
InChIKeyXFSCDQCKDVBPFR-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid (CID 174559500) is 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid is C=CCNC(=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid?
The InChIKey is XFSCDQCKDVBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-5-11-9(13)8-3-6-12(7-4-8)10(14)15/h2,8H,1,3-7H2,(H,11,13)(H,14,15).
What are the key properties of 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid?
4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylcarbamoyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 174559500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).