1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

C19H28N2O2 — CID 31697184

IUPAC1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)c1
InChIInChI=1S/C19H28N2O2/c1-12(2)19(23)21-8-6-16(7-9-21)18(22)20-17-14(4)10-13(3)11-15(17)5/h10-12,16H,6-9H2,1-5H3,(H,20,22)
InChIKeyUARVMMDMXASSDL-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (PubChem CID 31697184) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
PubChem CID31697184
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)c1
InChIInChI=1S/C19H28N2O2/c1-12(2)19(23)21-8-6-16(7-9-21)18(22)20-17-14(4)10-13(3)11-15(17)5/h10-12,16H,6-9H2,1-5H3,(H,20,22)
InChIKeyUARVMMDMXASSDL-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775960
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109147427
1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 17019069
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45013570
N-(3-chloro-2,6-diethylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748113

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (CID 31697184) is 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)c1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The InChIKey is UARVMMDMXASSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-12(2)19(23)21-8-6-16(7-9-21)18(22)20-17-14(4)10-13(3)11-15(17)5/h10-12,16H,6-9H2,1-5H3,(H,20,22).
What are the key properties of 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 31697184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).