(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

C19H25FN4O2 — CID 26405267

IUPAC(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCc1c(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cnn1C
InChIInChI=1S/C19H25FN4O2/c1-14-16(11-22-23(14)2)10-21-13-19(26)8-5-9-24(18(19)25)12-15-6-3-4-7-17(15)20/h3-4,6-7,11,21,26H,5,8-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyZOEOISSVBMBZOV-IBGZPJMESA-N
MW360.43 g/mol
LogP1.51
Rot. Bonds6

About (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 26405267) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID26405267
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCc1c(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cnn1C
InChIInChI=1S/C19H25FN4O2/c1-14-16(11-22-23(14)2)10-21-13-19(26)8-5-9-24(18(19)25)12-15-6-3-4-7-17(15)20/h3-4,6-7,11,21,26H,5,8-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyZOEOISSVBMBZOV-IBGZPJMESA-N
XLogP1.51
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45237085
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45211466
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 56753715
(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-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one
CID 45209624
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310833
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(2-hydroxyethylamino)methyl]piperidin-2-one
CID 56702000
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
methyl 2-[[(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetate
CID 25449153
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpyrazol-4-yl)methylamino]methyl]piperidin-2-one
CID 42508145

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (CID 26405267) is (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is Cc1c(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cnn1C.
What is the InChIKey of (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is ZOEOISSVBMBZOV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14-16(11-22-23(14)2)10-21-13-19(26)8-5-9-24(18(19)25)12-15-6-3-4-7-17(15)20/h3-4,6-7,11,21,26H,5,8-10,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 360.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 26405267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).