1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one

C20H25FN2O3 — CID 110220567

IUPAC1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCC(O)(c2cccnc2F)CC1)c1ccco1
InChIInChI=1S/C20H25FN2O3/c1-14(2)15(17-6-4-12-26-17)13-18(24)23-10-7-20(25,8-11-23)16-5-3-9-22-19(16)21/h3-6,9,12,14-15,25H,7-8,10-11,13H2,1-2H3
InChIKeyCFOMNCWIPCKQAR-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one

1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one (PubChem CID 110220567) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one
PubChem CID110220567
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCC(O)(c2cccnc2F)CC1)c1ccco1
InChIInChI=1S/C20H25FN2O3/c1-14(2)15(17-6-4-12-26-17)13-18(24)23-10-7-20(25,8-11-23)16-5-3-9-22-19(16)21/h3-6,9,12,14-15,25H,7-8,10-11,13H2,1-2H3
InChIKeyCFOMNCWIPCKQAR-UHFFFAOYSA-N
XLogP3.45
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-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 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one?
The IUPAC name of 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one (CID 110220567) is 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one is CC(C)C(CC(=O)N1CCC(O)(c2cccnc2F)CC1)c1ccco1.
What is the InChIKey of 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one?
The InChIKey is CFOMNCWIPCKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-14(2)15(17-6-4-12-26-17)13-18(24)23-10-7-20(25,8-11-23)16-5-3-9-22-19(16)21/h3-6,9,12,14-15,25H,7-8,10-11,13H2,1-2H3.
What are the key properties of 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one?
1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one has a molecular weight of 360.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one is sourced from PubChem (CID 110220567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).