N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide

C18H28N2O — CID 119334148

IUPACN-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(C)(C)CNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-14-5-7-16(8-6-14)18(2,3)13-20-17(21)15-9-11-19-12-10-15/h5-8,15,19H,4,9-13H2,1-3H3,(H,20,21)
InChIKeyFMLCXDVIFKDVAX-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide

N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 119334148) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
PubChem CID119334148
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(C)(C)CNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-14-5-7-16(8-6-14)18(2,3)13-20-17(21)15-9-11-19-12-10-15/h5-8,15,19H,4,9-13H2,1-3H3,(H,20,21)
InChIKeyFMLCXDVIFKDVAX-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]piperidine-4-carboxamide;hydrochloride
CID 75429785
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
CID 99834444
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126794993
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide (CID 119334148) is N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide is CCc1ccc(C(C)(C)CNC(=O)C2CCNCC2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is FMLCXDVIFKDVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-14-5-7-16(8-6-14)18(2,3)13-20-17(21)15-9-11-19-12-10-15/h5-8,15,19H,4,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide?
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 119334148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).