methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate

C23H27N3O4 — CID 651058

IUPACmethyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)22(28)24-17-11-13-26(14-12-17)15-21(27)25-20-10-6-5-9-19(20)23(29)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOEANPIFWBBTVJJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.61
Rot. Bonds6

About methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate

methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate (PubChem CID 651058) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
PubChem CID651058
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Namemethyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)22(28)24-17-11-13-26(14-12-17)15-21(27)25-20-10-6-5-9-19(20)23(29)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOEANPIFWBBTVJJ-UHFFFAOYSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

Tolycaine
CID 72137
3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CID 9985476
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
N-(o-Carboxyphenyl)-2-oxo-1-phenyl-4-pyrrolidinecarboxamide
CID 217791
Methyl 2-((2,3-dimethylphenyl)amino)benzoate
CID 71040
Methyl 2-{[(1-cyclohexyl-5-oxo-3-pyrrolidinyl)carbonyl]amino}benzoate
CID 2856288
4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CID 10627155
3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-6-methyl-2-oxo-4-(3,4,5-trifluoro-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CID 10722099
3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-4-(2,4-difluoro-phenyl)-6-ethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CID 11802456
Methyl 3-amino-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
CID 1475138
Methyl 2-({[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}amino)benzoate
CID 2211563
Methyl 3-{[(2-{1-[(3,5-dimethylanilino)carbonyl]-3-oxo-2-piperazinyl}acetyl)amino]methyl}benzoate
CID 2814472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate (CID 651058) is methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
The InChIKey is OEANPIFWBBTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)22(28)24-17-11-13-26(14-12-17)15-21(27)25-20-10-6-5-9-19(20)23(29)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate has a molecular weight of 409.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 651058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).