methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate

C20H23N3O3 — CID 59740832

IUPACmethyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-26-19(24)17-9-5-6-10-18(17)21-20(25)23-13-11-22(12-14-23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyRGACCGPXGNKSMI-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.82
Rot. Bonds4

About methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate

methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate (PubChem CID 59740832) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
PubChem CID59740832
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-26-19(24)17-9-5-6-10-18(17)21-20(25)23-13-11-22(12-14-23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyRGACCGPXGNKSMI-UHFFFAOYSA-N
XLogP2.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107902
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
methyl 2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 2206454
methyl 2-[[4-(4-ethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113112107
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
ethyl 2-[[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113108045
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate (CID 59740832) is methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate?
The InChIKey is RGACCGPXGNKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-19(24)17-9-5-6-10-18(17)21-20(25)23-13-11-22(12-14-23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,25).
What are the key properties of methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate?
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate has a molecular weight of 353.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 59740832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).