(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one

C18H24F2N2O2 — CID 25294220

IUPAC(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCCCC1
InChIInChI=1S/C18H24F2N2O2/c19-15-6-5-14(11-16(15)20)12-22-10-4-7-18(24,17(22)23)13-21-8-2-1-3-9-21/h5-6,11,24H,1-4,7-10,12-13H2/t18-/m1/s1
InChIKeySFURVHUMRAEWQK-GOSISDBHSA-N
MW338.40 g/mol
LogP2.30
Rot. Bonds4

About (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one

(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one (PubChem CID 25294220) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
PubChem CID25294220
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCCCC1
InChIInChI=1S/C18H24F2N2O2/c19-15-6-5-14(11-16(15)20)12-22-10-4-7-18(24,17(22)23)13-21-8-2-1-3-9-21/h5-6,11,24H,1-4,7-10,12-13H2/t18-/m1/s1
InChIKeySFURVHUMRAEWQK-GOSISDBHSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 45197923
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[(1,3-dihydroxypropan-2-ylamino)methyl]-3-hydroxypiperidin-2-one
CID 95227354
(3R)-3-(azepan-1-ylmethyl)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95214056
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933
(3S)-3-[(cyclobutylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25378903
(3S)-3-[(cyclohexylmethylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 42508110
(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one
CID 95222588
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42244126
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(2-methylprop-2-enyl)amino]methyl]piperidin-2-one
CID 42347625
N-[2-[[(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]acetamide
CID 95190755
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methylsulfonylethylamino)methyl]piperidin-2-one
CID 95216266
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310833

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
The IUPAC name of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one (CID 25294220) is (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one.
What is the SMILES notation for (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
The canonical SMILES for (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one is O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCCCC1.
What is the InChIKey of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
The InChIKey is SFURVHUMRAEWQK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-15-6-5-14(11-16(15)20)12-22-10-4-7-18(24,17(22)23)13-21-8-2-1-3-9-21/h5-6,11,24H,1-4,7-10,12-13H2/t18-/m1/s1.
What are the key properties of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one is sourced from PubChem (CID 25294220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).