(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one

C17H24F2N2O2 — CID 42364334

IUPAC(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
SMILESCC(C)N(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C17H24F2N2O2/c1-12(2)20(3)11-17(23)8-5-9-21(16(17)22)10-13-6-4-7-14(18)15(13)19/h4,6-7,12,23H,5,8-11H2,1-3H3/t17-/m1/s1
InChIKeyBYSDWQQWWFOEBY-QGZVFWFLSA-N
MW326.39 g/mol
LogP2.16
Rot. Bonds5

About (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one

(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one (PubChem CID 42364334) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
PubChem CID42364334
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
SMILESCC(C)N(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C17H24F2N2O2/c1-12(2)20(3)11-17(23)8-5-9-21(16(17)22)10-13-6-4-7-14(18)15(13)19/h4,6-7,12,23H,5,8-11H2,1-3H3/t17-/m1/s1
InChIKeyBYSDWQQWWFOEBY-QGZVFWFLSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45245843
(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]piperidin-2-one
CID 25479873
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
CID 45245861
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)-1-[(2,3-difluorophenyl)methyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxypiperidin-2-one
CID 42509603
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42415145
4-[[(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95200271
(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
1-[[1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56747319

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
The IUPAC name of (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one (CID 42364334) is (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one is CC(C)N(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O.
What is the InChIKey of (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
The InChIKey is BYSDWQQWWFOEBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-12(2)20(3)11-17(23)8-5-9-21(16(17)22)10-13-6-4-7-14(18)15(13)19/h4,6-7,12,23H,5,8-11H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one has a molecular weight of 326.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 42364334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).