N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide

C16H22N2O2 — CID 78272138

IUPACN-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-5-7-13(8-6-12)18-15(20)11-4-9-14(19)17-10-11/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWJGFVPXHUAAFAG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.45
Rot. Bonds2

About N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide

N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 78272138) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID78272138
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-5-7-13(8-6-12)18-15(20)11-4-9-14(19)17-10-11/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWJGFVPXHUAAFAG-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 104938577
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide (CID 78272138) is N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CCC(=O)NC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WJGFVPXHUAAFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)12-5-7-13(8-6-12)18-15(20)11-4-9-14(19)17-10-11/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).