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

C20H23N3O4 — CID 113113629

IUPACmethyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H23N3O4/c1-26-16-9-7-15(8-10-16)21-20(25)23-13-11-22(12-14-23)18-6-4-3-5-17(18)19(24)27-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyOGVPKNGUVDDEIU-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds4

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

methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113629) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113629
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H23N3O4/c1-26-16-9-7-15(8-10-16)21-20(25)23-13-11-22(12-14-23)18-6-4-3-5-17(18)19(24)27-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyOGVPKNGUVDDEIU-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-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113008
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
methyl 2-[4-(tert-butylcarbamoyl)piperazin-1-yl]benzoate
CID 113110433
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113629) is methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is COC(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is OGVPKNGUVDDEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-16-9-7-15(8-10-16)21-20(25)23-13-11-22(12-14-23)18-6-4-3-5-17(18)19(24)27-2/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 2-[4-[(4-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-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).