(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one

C20H26N2O3 — CID 42122047

IUPAC(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCC[C@@](O)(CNCc3ccc(C)o3)C2=O)c1
InChIInChI=1S/C20H26N2O3/c1-15-5-3-6-17(11-15)13-22-10-4-9-20(24,19(22)23)14-21-12-18-8-7-16(2)25-18/h3,5-8,11,21,24H,4,9-10,12-14H2,1-2H3/t20-/m1/s1
InChIKeyIHSSAIPSDIDCLK-HXUWFJFHSA-N
MW342.44 g/mol
LogP2.54
Rot. Bonds6

About (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one

(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one (PubChem CID 42122047) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
PubChem CID42122047
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCC[C@@](O)(CNCc3ccc(C)o3)C2=O)c1
InChIInChI=1S/C20H26N2O3/c1-15-5-3-6-17(11-15)13-22-10-4-9-20(24,19(22)23)14-21-12-18-8-7-16(2)25-18/h3,5-8,11,21,24H,4,9-10,12-14H2,1-2H3/t20-/m1/s1
InChIKeyIHSSAIPSDIDCLK-HXUWFJFHSA-N
XLogP2.54
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one with MolForge

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Related Compounds

(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95221812
(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42193572
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-2-one
CID 25377362
2-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56746440
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310209
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)methyl]piperidin-2-one
CID 45251604
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one
CID 95202805
(3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 95213454
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45253289
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one (CID 42122047) is (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one is Cc1cccc(CN2CCC[C@@](O)(CNCc3ccc(C)o3)C2=O)c1.
What is the InChIKey of (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
The InChIKey is IHSSAIPSDIDCLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-5-3-6-17(11-15)13-22-10-4-9-20(24,19(22)23)14-21-12-18-8-7-16(2)25-18/h3,5-8,11,21,24H,4,9-10,12-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 42122047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).