1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide

C14H22N2O — CID 2845898

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22N2O/c15-14(17)11-3-5-16(6-4-11)9-13-8-10-1-2-12(13)7-10/h1-2,10-13H,3-9H2,(H2,15,17)
InChIKeyINNMPAAVOYMDSG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.40
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide (PubChem CID 2845898) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide
PubChem CID2845898
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22N2O/c15-14(17)11-3-5-16(6-4-11)9-13-8-10-1-2-12(13)7-10/h1-2,10-13H,3-9H2,(H2,15,17)
InChIKeyINNMPAAVOYMDSG-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide (CID 2845898) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide is NC(=O)C1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide?
The InChIKey is INNMPAAVOYMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-14(17)11-3-5-16(6-4-11)9-13-8-10-1-2-12(13)7-10/h1-2,10-13H,3-9H2,(H2,15,17).
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2845898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).