[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate

C24H25FN4O2 — CID 11154369

IUPAC[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
SMILESCc1cccnc1CCc1ccc(OC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1
InChIInChI=1S/C24H25FN4O2/c1-18-3-2-12-26-22(18)10-6-19-4-8-21(9-5-19)31-24(30)29-15-13-28(14-16-29)23-11-7-20(25)17-27-23/h2-5,7-9,11-12,17H,6,10,13-16H2,1H3
InChIKeyJVPDIFHRICTTHW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.03
Rot. Bonds5

About [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate

[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 11154369) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
PubChem CID11154369
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
SMILESCc1cccnc1CCc1ccc(OC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1
InChIInChI=1S/C24H25FN4O2/c1-18-3-2-12-26-22(18)10-6-19-4-8-21(9-5-19)31-24(30)29-15-13-28(14-16-29)23-11-7-20(25)17-27-23/h2-5,7-9,11-12,17H,6,10,13-16H2,1H3
InChIKeyJVPDIFHRICTTHW-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)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 [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate (CID 11154369) is [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate is Cc1cccnc1CCc1ccc(OC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1.
What is the InChIKey of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is JVPDIFHRICTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-18-3-2-12-26-22(18)10-6-19-4-8-21(9-5-19)31-24(30)29-15-13-28(14-16-29)23-11-7-20(25)17-27-23/h2-5,7-9,11-12,17H,6,10,13-16H2,1H3.
What are the key properties of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate?
[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 11154369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).