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

C21H25N3O4 — CID 113113775

IUPACmethyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccccc3C(=O)OC)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-3-28-17-10-8-16(9-11-17)22-21(26)24-14-12-23(13-15-24)19-7-5-4-6-18(19)20(25)27-2/h4-11H,3,12-15H2,1-2H3,(H,22,26)
InChIKeyOJVHTGCYJUQTSM-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.23
Rot. Bonds5

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

methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113775) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113775
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Namemethyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccccc3C(=O)OC)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-3-28-17-10-8-16(9-11-17)22-21(26)24-14-12-23(13-15-24)19-7-5-4-6-18(19)20(25)27-2/h4-11H,3,12-15H2,1-2H3,(H,22,26)
InChIKeyOJVHTGCYJUQTSM-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-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113008
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
methyl 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]benzoate
CID 113078382
ethyl 2-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111246
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113775) is methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is CCOc1ccc(NC(=O)N2CCN(c3ccccc3C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is OJVHTGCYJUQTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-28-17-10-8-16(9-11-17)22-21(26)24-14-12-23(13-15-24)19-7-5-4-6-18(19)20(25)27-2/h4-11H,3,12-15H2,1-2H3,(H,22,26).
What are the key properties of methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 2-[4-[(4-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-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).