N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

C20H30N2O3 — CID 47021187

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2cc(C(C)(C)C)ccc2O)C1
InChIInChI=1S/C20H30N2O3/c1-13(2)19(25)22-10-6-7-14(12-22)18(24)21-16-11-15(20(3,4)5)8-9-17(16)23/h8-9,11,13-14,23H,6-7,10,12H2,1-5H3,(H,21,24)
InChIKeyCAHNUMVZBFPKJH-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.52
Rot. Bonds3

About N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 47021187) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID47021187
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2cc(C(C)(C)C)ccc2O)C1
InChIInChI=1S/C20H30N2O3/c1-13(2)19(25)22-10-6-7-14(12-22)18(24)21-16-11-15(20(3,4)5)8-9-17(16)23/h8-9,11,13-14,23H,6-7,10,12H2,1-5H3,(H,21,24)
InChIKeyCAHNUMVZBFPKJH-UHFFFAOYSA-N
XLogP3.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066572
1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 47026261
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide
CID 134121786
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
CID 121382012
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27672888
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 47021187) is N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)Nc2cc(C(C)(C)C)ccc2O)C1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is CAHNUMVZBFPKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)19(25)22-10-6-7-14(12-22)18(24)21-16-11-15(20(3,4)5)8-9-17(16)23/h8-9,11,13-14,23H,6-7,10,12H2,1-5H3,(H,21,24).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 47021187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).