N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide

C16H22N2O2 — CID 76871965

IUPACN-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-5-7-13(12)18-15(20)11-8-9-14(19)17-10-11/h4-7,11H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBYNCSXZISBESAP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.45
Rot. Bonds2

About N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide

N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 76871965) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID76871965
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-5-7-13(12)18-15(20)11-8-9-14(19)17-10-11/h4-7,11H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBYNCSXZISBESAP-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

N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729117
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272548
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide (CID 76871965) is N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is BYNCSXZISBESAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-5-7-13(12)18-15(20)11-8-9-14(19)17-10-11/h4-7,11H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide?
N-(2-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-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 76871965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).