N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide

C17H26N2O — CID 110693521

IUPACN-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-7-5-6-8-15(14)18-16(20)13-9-11-19(4)12-10-13/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyWEQOXIIZMZBKDQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.26
Rot. Bonds2

About N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide

N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide (PubChem CID 110693521) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
PubChem CID110693521
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-7-5-6-8-15(14)18-16(20)13-9-11-19(4)12-10-13/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyWEQOXIIZMZBKDQ-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-(2-tert-butylphenyl)-1-methylpiperidine-2-carboxamide
CID 110858395
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30837294
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide (CID 110693521) is N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is WEQOXIIZMZBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-7-5-6-8-15(14)18-16(20)13-9-11-19(4)12-10-13/h5-8,13H,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide?
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110693521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).