ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate

C19H22N4O3 — CID 1296067

IUPACethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N4O3/c1-2-26-18(24)15-6-8-16(9-7-15)21-19(25)23-13-11-22(12-14-23)17-5-3-4-10-20-17/h3-10H,2,11-14H2,1H3,(H,21,25)
InChIKeyARZKVNRRXHWQDS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.61
Rot. Bonds4

About ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate

ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate (PubChem CID 1296067) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate
PubChem CID1296067
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N4O3/c1-2-26-18(24)15-6-8-16(9-7-15)21-19(25)23-13-11-22(12-14-23)17-5-3-4-10-20-17/h3-10H,2,11-14H2,1H3,(H,21,25)
InChIKeyARZKVNRRXHWQDS-UHFFFAOYSA-N
XLogP2.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate (CID 1296067) is ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate?
The InChIKey is ARZKVNRRXHWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-18(24)15-6-8-16(9-7-15)21-19(25)23-13-11-22(12-14-23)17-5-3-4-10-20-17/h3-10H,2,11-14H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate?
ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 1296067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).