ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate

C15H19FN2O3 — CID 80710422

IUPACethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C15H19FN2O3/c1-3-21-15(20)18-9-7-17(8-10-18)14(19)12-6-4-5-11(2)13(12)16/h4-6H,3,7-10H2,1-2H3
InChIKeyBBLZWBJSVMUFHA-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.05
Rot. Bonds2

About ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate

ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate (PubChem CID 80710422) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
PubChem CID80710422
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Nameethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C15H19FN2O3/c1-3-21-15(20)18-9-7-17(8-10-18)14(19)12-6-4-5-11(2)13(12)16/h4-6H,3,7-10H2,1-2H3
InChIKeyBBLZWBJSVMUFHA-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(2-fluoro-3-methylbenzoyl)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

Related Compounds

ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479698
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479699
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 80710685
ethyl 4-(3-bromo-2-chlorobenzoyl)piperazine-1-carboxylate
CID 103975216
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate (CID 80710422) is ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate?
The InChIKey is BBLZWBJSVMUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-21-15(20)18-9-7-17(8-10-18)14(19)12-6-4-5-11(2)13(12)16/h4-6H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate?
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 80710422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).