1-dodecylpiperidine-3-carboxamide

C18H36N2O — CID 4178345

IUPAC1-dodecylpiperidine-3-carboxamide
SMILESCCCCCCCCCCCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21)
InChIKeyOOSWYPPXWOIAFP-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.10
Rot. Bonds12

About 1-dodecylpiperidine-3-carboxamide

1-dodecylpiperidine-3-carboxamide (PubChem CID 4178345) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-dodecylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-dodecylpiperidine-3-carboxamide
PubChem CID4178345
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-dodecylpiperidine-3-carboxamide
SMILESCCCCCCCCCCCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21)
InChIKeyOOSWYPPXWOIAFP-UHFFFAOYSA-N
XLogP4.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.10
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-dodecylpiperidine-3-carboxamide?
The IUPAC name of 1-dodecylpiperidine-3-carboxamide (CID 4178345) is 1-dodecylpiperidine-3-carboxamide.
What is the SMILES notation for 1-dodecylpiperidine-3-carboxamide?
The canonical SMILES for 1-dodecylpiperidine-3-carboxamide is CCCCCCCCCCCCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-dodecylpiperidine-3-carboxamide?
The InChIKey is OOSWYPPXWOIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21).
What are the key properties of 1-dodecylpiperidine-3-carboxamide?
1-dodecylpiperidine-3-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 4.10, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpiperidine-3-carboxamide is sourced from PubChem (CID 4178345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).