1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one

C20H28F2N2O3 — CID 45197923

IUPAC1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one
SMILESCOCC1CCN(CC2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1
InChIInChI=1S/C20H28F2N2O3/c1-27-13-15-5-9-23(10-6-15)14-20(26)7-2-8-24(19(20)25)12-16-3-4-17(21)18(22)11-16/h3-4,11,15,26H,2,5-10,12-14H2,1H3
InChIKeyFAMGZTVKXYLLDA-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.18
Rot. Bonds6

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

1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 45197923) has the molecular formula C20H28F2N2O3 and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one
PubChem CID45197923
Molecular FormulaC20H28F2N2O3
Molecular Weight382.45 g/mol
Exact Mass382.21
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one
SMILESCOCC1CCN(CC2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1
InChIInChI=1S/C20H28F2N2O3/c1-27-13-15-5-9-23(10-6-15)14-20(26)7-2-8-24(19(20)25)12-16-3-4-17(21)18(22)11-16/h3-4,11,15,26H,2,5-10,12-14H2,1H3
InChIKeyFAMGZTVKXYLLDA-UHFFFAOYSA-N
XLogP2.18
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-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

(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
CID 25294220
(3S)-3-[[(1-acetylpiperidin-4-yl)methylamino]methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25493488
(3S)-3-[(cyclohexylmethylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 42508110
(3S)-3-[(cyclobutylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25378903
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one
CID 56754466
(3S)-3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 25448686
(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-[(1,3-dihydroxypropan-2-ylamino)methyl]-3-hydroxypiperidin-2-one
CID 95227354
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(2-methylprop-2-enyl)amino]methyl]piperidin-2-one
CID 42347625
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methylsulfonylethylamino)methyl]piperidin-2-one
CID 95216266
N-[2-[[(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]acetamide
CID 95190755

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one (CID 45197923) is 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one is COCC1CCN(CC2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is FAMGZTVKXYLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O3/c1-27-13-15-5-9-23(10-6-15)14-20(26)7-2-8-24(19(20)25)12-16-3-4-17(21)18(22)11-16/h3-4,11,15,26H,2,5-10,12-14H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 382.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 45197923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).