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

C20H26N2O3 — CID 95221812

IUPAC(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)o1
InChIInChI=1S/C20H26N2O3/c1-16-8-9-18(25-16)14-21-15-20(24)11-5-12-22(19(20)23)13-10-17-6-3-2-4-7-17/h2-4,6-9,21,24H,5,10-15H2,1H3/t20-/m0/s1
InChIKeyFEBWRYNYVHDDJD-FQEVSTJZSA-N
MW342.44 g/mol
LogP2.27
Rot. Bonds7

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

(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 95221812) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID95221812
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)o1
InChIInChI=1S/C20H26N2O3/c1-16-8-9-18(25-16)14-21-15-20(24)11-5-12-22(19(20)23)13-10-17-6-3-2-4-7-17/h2-4,6-9,21,24H,5,10-15H2,1H3/t20-/m0/s1
InChIKeyFEBWRYNYVHDDJD-FQEVSTJZSA-N
XLogP2.27
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95200644
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42122047
(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95206186
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 56710980
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95200198
(3R)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211538
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211537
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56714160
(3R)-3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95207378

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one (CID 95221812) is (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one is Cc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)o1.
What is the InChIKey of (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is FEBWRYNYVHDDJD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-8-9-18(25-16)14-21-15-20(24)11-5-12-22(19(20)23)13-10-17-6-3-2-4-7-17/h2-4,6-9,21,24H,5,10-15H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 95221812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).