methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate

C20H23N3O4 — CID 113113586

IUPACmethyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C20H23N3O4/c1-26-16-7-5-6-15(14-16)21-20(25)23-12-10-22(11-13-23)18-9-4-3-8-17(18)19(24)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyQZXVNSMZRBHZDS-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds4

About methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate

methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113586) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113586
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C20H23N3O4/c1-26-16-7-5-6-15(14-16)21-20(25)23-12-10-22(11-13-23)18-9-4-3-8-17(18)19(24)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyQZXVNSMZRBHZDS-UHFFFAOYSA-N
XLogP2.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.84
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
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113008
methyl 2-[1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate
CID 24731892
4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113603
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
ethyl 2-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111246
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113586) is methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is COC(=O)c1ccccc1N1CCN(C(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is QZXVNSMZRBHZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-16-7-5-6-15(14-16)21-20(25)23-12-10-22(11-13-23)18-9-4-3-8-17(18)19(24)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25).
What are the key properties of methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).