methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate

C23H28N2O3 — CID 43924425

IUPACmethyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C
InChIInChI=1S/C23H28N2O3/c1-16-11-13-25(14-12-16)15-18-7-9-19(10-8-18)22(26)24-21-6-4-5-20(17(21)2)23(27)28-3/h4-10,16H,11-15H2,1-3H3,(H,24,26)
InChIKeyWPDKWRDFVACFTC-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate

methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate (PubChem CID 43924425) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
PubChem CID43924425
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namemethyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C
InChIInChI=1S/C23H28N2O3/c1-16-11-13-25(14-12-16)15-18-7-9-19(10-8-18)22(26)24-21-6-4-5-20(17(21)2)23(27)28-3/h4-10,16H,11-15H2,1-3H3,(H,24,26)
InChIKeyWPDKWRDFVACFTC-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283610
methyl 2-methyl-3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43924419
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
methyl 2-methyl-3-[3-(4-methylpiperidin-1-yl)propylcarbamothioylamino]benzoate
CID 100631697
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
N-(2,4-dichlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92646467
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate (CID 43924425) is methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C.
What is the InChIKey of methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate?
The InChIKey is WPDKWRDFVACFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-11-13-25(14-12-16)15-18-7-9-19(10-8-18)22(26)24-21-6-4-5-20(17(21)2)23(27)28-3/h4-10,16H,11-15H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate?
methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate has a molecular weight of 380.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate is sourced from PubChem (CID 43924425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).