methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate

C20H23N3O3 — CID 113111137

IUPACmethyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C20H23N3O3/c1-15-7-3-5-9-17(15)21-20(25)23-13-11-22(12-14-23)18-10-6-4-8-16(18)19(24)26-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyYJFYAGLCFLLLQP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.14
Rot. Bonds3

About methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate

methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113111137) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113111137
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C20H23N3O3/c1-15-7-3-5-9-17(15)21-20(25)23-13-11-22(12-14-23)18-10-6-4-8-16(18)19(24)26-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyYJFYAGLCFLLLQP-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
methyl 2-[4-(tert-butylcarbamoyl)piperazin-1-yl]benzoate
CID 113110433
ethyl 2-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111099
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113008
methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
methyl 2-[[4-(2,4-difluorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 113114335
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113111137) is methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate is COC(=O)c1ccccc1N1CCN(C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is YJFYAGLCFLLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-7-3-5-9-17(15)21-20(25)23-13-11-22(12-14-23)18-10-6-4-8-16(18)19(24)26-2/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113111137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).