N-butyl-3,3-diethylpiperidine-1-carboxamide

C14H28N2O — CID 13141774

IUPACN-butyl-3,3-diethylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(CC)(CC)C1
InChIInChI=1S/C14H28N2O/c1-4-7-10-15-13(17)16-11-8-9-14(5-2,6-3)12-16/h4-12H2,1-3H3,(H,15,17)
InChIKeyKWXFOUIQZAFQGL-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.40
Rot. Bonds5

About N-butyl-3,3-diethylpiperidine-1-carboxamide

N-butyl-3,3-diethylpiperidine-1-carboxamide (PubChem CID 13141774) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butyl-3,3-diethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3,3-diethylpiperidine-1-carboxamide
PubChem CID13141774
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butyl-3,3-diethylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(CC)(CC)C1
InChIInChI=1S/C14H28N2O/c1-4-7-10-15-13(17)16-11-8-9-14(5-2,6-3)12-16/h4-12H2,1-3H3,(H,15,17)
InChIKeyKWXFOUIQZAFQGL-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-3,3-diethylpiperidine-1-carboxamide?
The IUPAC name of N-butyl-3,3-diethylpiperidine-1-carboxamide (CID 13141774) is N-butyl-3,3-diethylpiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-3,3-diethylpiperidine-1-carboxamide?
The canonical SMILES for N-butyl-3,3-diethylpiperidine-1-carboxamide is CCCCNC(=O)N1CCCC(CC)(CC)C1.
What is the InChIKey of N-butyl-3,3-diethylpiperidine-1-carboxamide?
The InChIKey is KWXFOUIQZAFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-10-15-13(17)16-11-8-9-14(5-2,6-3)12-16/h4-12H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-3,3-diethylpiperidine-1-carboxamide?
N-butyl-3,3-diethylpiperidine-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-diethylpiperidine-1-carboxamide is sourced from PubChem (CID 13141774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).