N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide

C18H28N2O2 — CID 154750133

IUPACN-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
SMILESCCC(C)CN1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C18H28N2O2/c1-4-14(2)13-20-11-9-15(10-12-20)18(21)19-16-7-5-6-8-17(16)22-3/h5-8,14-15H,4,9-13H2,1-3H3,(H,19,21)
InChIKeyDGEDROPOEHIVMV-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.39
Rot. Bonds6

About N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide (PubChem CID 154750133) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
PubChem CID154750133
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
SMILESCCC(C)CN1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C18H28N2O2/c1-4-14(2)13-20-11-9-15(10-12-20)18(21)19-16-7-5-6-8-17(16)22-3/h5-8,14-15H,4,9-13H2,1-3H3,(H,19,21)
InChIKeyDGEDROPOEHIVMV-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55831351
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444408
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47055282
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide (CID 154750133) is N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide is CCC(C)CN1CCC(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide?
The InChIKey is DGEDROPOEHIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-14(2)13-20-11-9-15(10-12-20)18(21)19-16-7-5-6-8-17(16)22-3/h5-8,14-15H,4,9-13H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 154750133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).