N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide

C14H28N2O2 — CID 54496164

IUPACN-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-8-15-12(18)16-13(2,3)9-11(17)10-14(16,4)5/h11,17H,6-10H2,1-5H3,(H,15,18)
InChIKeyXZGRZUSRGLAUQG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.51
Rot. Bonds3

About N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide

N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide (PubChem CID 54496164) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide
PubChem CID54496164
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-8-15-12(18)16-13(2,3)9-11(17)10-14(16,4)5/h11,17H,6-10H2,1-5H3,(H,15,18)
InChIKeyXZGRZUSRGLAUQG-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
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-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide?
The IUPAC name of N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide (CID 54496164) is N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide is CCCCNC(=O)N1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide?
The InChIKey is XZGRZUSRGLAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-8-15-12(18)16-13(2,3)9-11(17)10-14(16,4)5/h11,17H,6-10H2,1-5H3,(H,15,18).
What are the key properties of N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide?
N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carboxamide is sourced from PubChem (CID 54496164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).