methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate

C22H26N2O3 — CID 45007794

IUPACmethyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C22H26N2O3/c1-16-7-3-4-8-18(16)15-24-13-11-17(12-14-24)21(25)23-20-10-6-5-9-19(20)22(26)27-2/h3-10,17H,11-15H2,1-2H3,(H,23,25)
InChIKeyADWJIFCPLGXUPE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.63
Rot. Bonds5

About methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate

methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate (PubChem CID 45007794) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
PubChem CID45007794
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namemethyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C22H26N2O3/c1-16-7-3-4-8-18(16)15-24-13-11-17(12-14-24)21(25)23-20-10-6-5-9-19(20)22(26)27-2/h3-10,17H,11-15H2,1-2H3,(H,23,25)
InChIKeyADWJIFCPLGXUPE-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919896
1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 45007317
methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
methyl 2-[[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38147291
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740
ethyl 2-chloro-4-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 46777127

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate (CID 45007794) is methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The InChIKey is ADWJIFCPLGXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-7-3-4-8-18(16)15-24-13-11-17(12-14-24)21(25)23-20-10-6-5-9-19(20)22(26)27-2/h3-10,17H,11-15H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate has a molecular weight of 366.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 45007794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).