3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one

C25H33FN4O2 — CID 11553985

IUPAC3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one
SMILESCN1CCN(c2ccc(F)cc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC1
InChIInChI=1S/C25H33FN4O2/c1-25(2,32)23-9-7-21(17-27-23)30-10-4-5-18(24(30)31)15-19-16-20(26)6-8-22(19)29-13-11-28(3)12-14-29/h6-9,16-18,32H,4-5,10-15H2,1-3H3
InChIKeySUMDSLXELAMRJM-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.19
Rot. Bonds5

About 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one

3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one (PubChem CID 11553985) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one
PubChem CID11553985
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one
SMILESCN1CCN(c2ccc(F)cc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC1
InChIInChI=1S/C25H33FN4O2/c1-25(2,32)23-9-7-21(17-27-23)30-10-4-5-18(24(30)31)15-19-16-20(26)6-8-22(19)29-13-11-28(3)12-14-29/h6-9,16-18,32H,4-5,10-15H2,1-3H3
InChIKeySUMDSLXELAMRJM-UHFFFAOYSA-N
XLogP3.19
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-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 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one?
The IUPAC name of 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one (CID 11553985) is 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one.
What is the SMILES notation for 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one?
The canonical SMILES for 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one is CN1CCN(c2ccc(F)cc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC1.
What is the InChIKey of 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one?
The InChIKey is SUMDSLXELAMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-25(2,32)23-9-7-21(17-27-23)30-10-4-5-18(24(30)31)15-19-16-20(26)6-8-22(19)29-13-11-28(3)12-14-29/h6-9,16-18,32H,4-5,10-15H2,1-3H3.
What are the key properties of 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one?
3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one has a molecular weight of 440.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 11553985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).