methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate

C21H24N2O3 — CID 41455479

IUPACmethyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-21(25)18-9-11-19(12-10-18)22-20(24)17-7-5-16(6-8-17)15-23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyZYJBBZRSJADILJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.71
Rot. Bonds5

About methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate

methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate (PubChem CID 41455479) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate
PubChem CID41455479
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-21(25)18-9-11-19(12-10-18)22-20(24)17-7-5-16(6-8-17)15-23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyZYJBBZRSJADILJ-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate (CID 41455479) is methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is ZYJBBZRSJADILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-21(25)18-9-11-19(12-10-18)22-20(24)17-7-5-16(6-8-17)15-23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24).
What are the key properties of methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate?
methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 352.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 41455479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).