4-methyl-N-undecylpiperidine-1-carboxamide

C18H36N2O — CID 162639270

IUPAC4-methyl-N-undecylpiperidine-1-carboxamide
SMILESCCCCCCCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)
InChIKeySYMUTLCUVXEJOU-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.96
Rot. Bonds10

About 4-methyl-N-undecylpiperidine-1-carboxamide

4-methyl-N-undecylpiperidine-1-carboxamide (PubChem CID 162639270) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-methyl-N-undecylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-undecylpiperidine-1-carboxamide
PubChem CID162639270
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-methyl-N-undecylpiperidine-1-carboxamide
SMILESCCCCCCCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)
InChIKeySYMUTLCUVXEJOU-UHFFFAOYSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-N-undecylpiperidine-1-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 4-methyl-N-undecylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-undecylpiperidine-1-carboxamide (CID 162639270) is 4-methyl-N-undecylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-undecylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-undecylpiperidine-1-carboxamide is CCCCCCCCCCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-undecylpiperidine-1-carboxamide?
The InChIKey is SYMUTLCUVXEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-undecylpiperidine-1-carboxamide?
4-methyl-N-undecylpiperidine-1-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-undecylpiperidine-1-carboxamide is sourced from PubChem (CID 162639270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).