1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

C20H21F3N2O2 — CID 45227864

IUPAC1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CNCc1cccc(F)c1
InChIInChI=1S/C20H21F3N2O2/c21-16-6-1-4-14(10-16)11-24-13-20(27)8-3-9-25(19(20)26)12-15-5-2-7-17(22)18(15)23/h1-2,4-7,10,24,27H,3,8-9,11-13H2
InChIKeyOILNJVWALFDHCU-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.75
Rot. Bonds6

About 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 45227864) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID45227864
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CNCc1cccc(F)c1
InChIInChI=1S/C20H21F3N2O2/c21-16-6-1-4-14(10-16)11-24-13-20(27)8-3-9-25(19(20)26)12-15-5-2-7-17(22)18(15)23/h1-2,4-7,10,24,27H,3,8-9,11-13H2
InChIKeyOILNJVWALFDHCU-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-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

Related Compounds

(3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42244126
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(2-hydroxyethylamino)methyl]piperidin-2-one
CID 56702000
methyl 2-[[(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetate
CID 25449153
(3S)-3-[[(2-amino-3-pyridinyl)methylamino]methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 95228887
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45211466
(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42460789
(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 26397324
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one
CID 45209624
(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42415145
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)methyl]piperidin-2-one
CID 45204687
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (CID 45227864) is 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is O=C1N(Cc2cccc(F)c2F)CCCC1(O)CNCc1cccc(F)c1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is OILNJVWALFDHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-16-6-1-4-14(10-16)11-24-13-20(27)8-3-9-25(19(20)26)12-15-5-2-7-17(22)18(15)23/h1-2,4-7,10,24,27H,3,8-9,11-13H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 378.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45227864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).