N-hexylpiperidine-3-carboxamide

C12H24N2O — CID 43589709

IUPACN-hexylpiperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CCCNC1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyDMJRQHBYFYECHJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds6

About N-hexylpiperidine-3-carboxamide

N-hexylpiperidine-3-carboxamide (PubChem CID 43589709) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-hexylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-hexylpiperidine-3-carboxamide
PubChem CID43589709
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-hexylpiperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CCCNC1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyDMJRQHBYFYECHJ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexylpiperidine-3-carboxamide?
The IUPAC name of N-hexylpiperidine-3-carboxamide (CID 43589709) is N-hexylpiperidine-3-carboxamide.
What is the SMILES notation for N-hexylpiperidine-3-carboxamide?
The canonical SMILES for N-hexylpiperidine-3-carboxamide is CCCCCCNC(=O)C1CCCNC1.
What is the InChIKey of N-hexylpiperidine-3-carboxamide?
The InChIKey is DMJRQHBYFYECHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15).
What are the key properties of N-hexylpiperidine-3-carboxamide?
N-hexylpiperidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylpiperidine-3-carboxamide is sourced from PubChem (CID 43589709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).