N,N-dihexylpiperidine-4-carboxamide

C18H36N2O — CID 60947458

IUPACN,N-dihexylpiperidine-4-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)C1CCNCC1
InChIInChI=1S/C18H36N2O/c1-3-5-7-9-15-20(16-10-8-6-4-2)18(21)17-11-13-19-14-12-17/h17,19H,3-16H2,1-2H3
InChIKeyIJJNNWZXWJIFMY-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.98
Rot. Bonds11

About N,N-dihexylpiperidine-4-carboxamide

N,N-dihexylpiperidine-4-carboxamide (PubChem CID 60947458) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N,N-dihexylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dihexylpiperidine-4-carboxamide
PubChem CID60947458
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN,N-dihexylpiperidine-4-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)C1CCNCC1
InChIInChI=1S/C18H36N2O/c1-3-5-7-9-15-20(16-10-8-6-4-2)18(21)17-11-13-19-14-12-17/h17,19H,3-16H2,1-2H3
InChIKeyIJJNNWZXWJIFMY-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.98
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 N,N-dihexylpiperidine-4-carboxamide?
The IUPAC name of N,N-dihexylpiperidine-4-carboxamide (CID 60947458) is N,N-dihexylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-dihexylpiperidine-4-carboxamide?
The canonical SMILES for N,N-dihexylpiperidine-4-carboxamide is CCCCCCN(CCCCCC)C(=O)C1CCNCC1.
What is the InChIKey of N,N-dihexylpiperidine-4-carboxamide?
The InChIKey is IJJNNWZXWJIFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-5-7-9-15-20(16-10-8-6-4-2)18(21)17-11-13-19-14-12-17/h17,19H,3-16H2,1-2H3.
What are the key properties of N,N-dihexylpiperidine-4-carboxamide?
N,N-dihexylpiperidine-4-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylpiperidine-4-carboxamide is sourced from PubChem (CID 60947458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).