ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate

C16H21N3O4 — CID 742027

IUPACethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(C)=O)CC1
InChIInChI=1S/C16H21N3O4/c1-3-23-16(22)19-10-8-18(9-11-19)15(21)13-6-4-5-7-14(13)17-12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyGCMGAVLFDIRZRH-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.56
Rot. Bonds3

About ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate

ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate (PubChem CID 742027) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate
PubChem CID742027
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nameethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(C)=O)CC1
InChIInChI=1S/C16H21N3O4/c1-3-23-16(22)19-10-8-18(9-11-19)15(21)13-6-4-5-7-14(13)17-12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyGCMGAVLFDIRZRH-UHFFFAOYSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate 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-(2-acetamidobenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate (CID 742027) is ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(C)=O)CC1.
What is the InChIKey of ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate?
The InChIKey is GCMGAVLFDIRZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-3-23-16(22)19-10-8-18(9-11-19)15(21)13-6-4-5-7-14(13)17-12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate?
ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-acetamidobenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 742027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).