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

C20H23N3O4 — CID 113113513

IUPACmethyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c1
InChIInChI=1S/C20H23N3O4/c1-26-18-9-4-3-8-17(18)21-20(25)23-12-10-22(11-13-23)16-7-5-6-15(14-16)19(24)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyJMGXQHLJFLAAHO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds4

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

methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113513) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113513
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c1
InChIInChI=1S/C20H23N3O4/c1-26-18-9-4-3-8-17(18)21-20(25)23-12-10-22(11-13-23)16-7-5-6-15(14-16)19(24)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyJMGXQHLJFLAAHO-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 3-[4-[(2,4-dimethylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111486
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 113078493
methyl 3-[4-[(4-acetamidophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114297
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
methyl 3-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoate
CID 113078463
methyl 4-[4-[(2-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113907
methyl 3-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112396
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
methyl 3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]benzoate
CID 113104367
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113513) is methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is COC(=O)c1cccc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c1.
What is the InChIKey of methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is JMGXQHLJFLAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-18-9-4-3-8-17(18)21-20(25)23-12-10-22(11-13-23)16-7-5-6-15(14-16)19(24)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25).
What are the key properties of methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 3-[4-[(2-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 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).