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

C21H25N3O4 — CID 113113699

IUPACmethyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCCOc1ccccc1NC(=O)N1CCN(c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C21H25N3O4/c1-3-28-19-11-7-5-9-17(19)22-21(26)24-14-12-23(13-15-24)18-10-6-4-8-16(18)20(25)27-2/h4-11H,3,12-15H2,1-2H3,(H,22,26)
InChIKeyMFKXLMLDHNXYFA-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.23
Rot. Bonds5

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

methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113699) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113699
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Namemethyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCCOc1ccccc1NC(=O)N1CCN(c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C21H25N3O4/c1-3-28-19-11-7-5-9-17(19)22-21(26)24-14-12-23(13-15-24)18-10-6-4-8-16(18)20(25)27-2/h4-11H,3,12-15H2,1-2H3,(H,22,26)
InChIKeyMFKXLMLDHNXYFA-UHFFFAOYSA-N
XLogP3.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113699) is methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is CCOc1ccccc1NC(=O)N1CCN(c2ccccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is MFKXLMLDHNXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-28-19-11-7-5-9-17(19)22-21(26)24-14-12-23(13-15-24)18-10-6-4-8-16(18)20(25)27-2/h4-11H,3,12-15H2,1-2H3,(H,22,26).
What are the key properties of methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate has a molecular weight of 383.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).