4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one

C15H19FN4O — CID 144844506

IUPAC4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cncn2CC2=CC=C(F)CC2)CCN1
InChIInChI=1S/C15H19FN4O/c16-13-3-1-12(2-4-13)8-20-11-17-7-14(20)9-19-6-5-18-15(21)10-19/h1,3,7,11H,2,4-6,8-10H2,(H,18,21)
InChIKeyGGKNVAVVLBYUCB-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.39
Rot. Bonds4

About 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one

4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one (PubChem CID 144844506) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one
PubChem CID144844506
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cncn2CC2=CC=C(F)CC2)CCN1
InChIInChI=1S/C15H19FN4O/c16-13-3-1-12(2-4-13)8-20-11-17-7-14(20)9-19-6-5-18-15(21)10-19/h1,3,7,11H,2,4-6,8-10H2,(H,18,21)
InChIKeyGGKNVAVVLBYUCB-UHFFFAOYSA-N
XLogP1.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one 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-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one (CID 144844506) is 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one is O=C1CN(Cc2cncn2CC2=CC=C(F)CC2)CCN1.
What is the InChIKey of 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
The InChIKey is GGKNVAVVLBYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-13-3-1-12(2-4-13)8-20-11-17-7-14(20)9-19-6-5-18-15(21)10-19/h1,3,7,11H,2,4-6,8-10H2,(H,18,21).
What are the key properties of 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one has a molecular weight of 290.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 144844506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).