cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

C23H25F3N4O2 — CID 142581444

IUPACcyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC(F)(F)CC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H25F3N4O2/c24-16-3-4-19-17(13-16)20(28-7-5-23(25,26)6-8-28)18(14-27-19)22(32)30-11-9-29(10-12-30)21(31)15-1-2-15/h3-4,13-15H,1-2,5-12H2
InChIKeyCOHDMCSSLIIGPQ-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.30
Rot. Bonds3

About cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581444) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581444
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Namecyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC(F)(F)CC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H25F3N4O2/c24-16-3-4-19-17(13-16)20(28-7-5-23(25,26)6-8-28)18(14-27-19)22(32)30-11-9-29(10-12-30)21(31)15-1-2-15/h3-4,13-15H,1-2,5-12H2
InChIKeyCOHDMCSSLIIGPQ-UHFFFAOYSA-N
XLogP3.30
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone 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 cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581444) is cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc2ccc(F)cc2c1N1CCC(F)(F)CC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is COHDMCSSLIIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c24-16-3-4-19-17(13-16)20(28-7-5-23(25,26)6-8-28)18(14-27-19)22(32)30-11-9-29(10-12-30)21(31)15-1-2-15/h3-4,13-15H,1-2,5-12H2.
What are the key properties of cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 446.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).