(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one

C20H26N2O3 — CID 95206186

IUPAC(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1N(CCc2ccccc2)CCC[C@]1(O)CNCCc1ccco1
InChIInChI=1S/C20H26N2O3/c23-19-20(24,16-21-12-9-18-8-4-15-25-18)11-5-13-22(19)14-10-17-6-2-1-3-7-17/h1-4,6-8,15,21,24H,5,9-14,16H2/t20-/m0/s1
InChIKeyMDHRAWYYFQOYAY-FQEVSTJZSA-N
MW342.44 g/mol
LogP2.01
Rot. Bonds8

About (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one

(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one (PubChem CID 95206186) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
PubChem CID95206186
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1N(CCc2ccccc2)CCC[C@]1(O)CNCCc1ccco1
InChIInChI=1S/C20H26N2O3/c23-19-20(24,16-21-12-9-18-8-4-15-25-18)11-5-13-22(19)14-10-17-6-2-1-3-7-17/h1-4,6-8,15,21,24H,5,9-14,16H2/t20-/m0/s1
InChIKeyMDHRAWYYFQOYAY-FQEVSTJZSA-N
XLogP2.01
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95221812
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[[2-(triazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 95196906
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211537
(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95200644
(3R)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
CID 95188134
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 56710980
3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride
CID 154891709
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95200198
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one (CID 95206186) is (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one is O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCCc1ccco1.
What is the InChIKey of (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is MDHRAWYYFQOYAY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19-20(24,16-21-12-9-18-8-4-15-25-18)11-5-13-22(19)14-10-17-6-2-1-3-7-17/h1-4,6-8,15,21,24H,5,9-14,16H2/t20-/m0/s1.
What are the key properties of (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 95206186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).