1-octylpiperidine-2-carboxamide

C14H28N2O — CID 162645640

IUPAC1-octylpiperidine-2-carboxamide
SMILESCCCCCCCCN1CCCCC1C(N)=O
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-8-11-16-12-9-7-10-13(16)14(15)17/h13H,2-12H2,1H3,(H2,15,17)
InChIKeyAPKODQOLUQCRRP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.69
Rot. Bonds8

About 1-octylpiperidine-2-carboxamide

1-octylpiperidine-2-carboxamide (PubChem CID 162645640) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-octylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-octylpiperidine-2-carboxamide
PubChem CID162645640
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-octylpiperidine-2-carboxamide
SMILESCCCCCCCCN1CCCCC1C(N)=O
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-8-11-16-12-9-7-10-13(16)14(15)17/h13H,2-12H2,1H3,(H2,15,17)
InChIKeyAPKODQOLUQCRRP-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-octylpiperidine-2-carboxamide?
The IUPAC name of 1-octylpiperidine-2-carboxamide (CID 162645640) is 1-octylpiperidine-2-carboxamide.
What is the SMILES notation for 1-octylpiperidine-2-carboxamide?
The canonical SMILES for 1-octylpiperidine-2-carboxamide is CCCCCCCCN1CCCCC1C(N)=O.
What is the InChIKey of 1-octylpiperidine-2-carboxamide?
The InChIKey is APKODQOLUQCRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-8-11-16-12-9-7-10-13(16)14(15)17/h13H,2-12H2,1H3,(H2,15,17).
What are the key properties of 1-octylpiperidine-2-carboxamide?
1-octylpiperidine-2-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylpiperidine-2-carboxamide is sourced from PubChem (CID 162645640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).