(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one

C19H24N2O2S — CID 95211537

IUPAC(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccsc1
InChIInChI=1S/C19H24N2O2S/c22-18-19(23,15-20-13-17-8-12-24-14-17)9-4-10-21(18)11-7-16-5-2-1-3-6-16/h1-3,5-6,8,12,14,20,23H,4,7,9-11,13,15H2/t19-/m0/s1
InChIKeyMFBIJXDKMYCQSX-IBGZPJMESA-N
MW344.48 g/mol
LogP2.43
Rot. Bonds7

About (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one

(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 95211537) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
PubChem CID95211537
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccsc1
InChIInChI=1S/C19H24N2O2S/c22-18-19(23,15-20-13-17-8-12-24-14-17)9-4-10-21(18)11-7-16-5-2-1-3-6-16/h1-3,5-6,8,12,14,20,23H,4,7,9-11,13,15H2/t19-/m0/s1
InChIKeyMFBIJXDKMYCQSX-IBGZPJMESA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211538
(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95202671
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-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95206186
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
(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
3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56714160
(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95200644
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 56710980

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one (CID 95211537) is (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one is O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccsc1.
What is the InChIKey of (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is MFBIJXDKMYCQSX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-18-19(23,15-20-13-17-8-12-24-14-17)9-4-10-21(18)11-7-16-5-2-1-3-6-16/h1-3,5-6,8,12,14,20,23H,4,7,9-11,13,15H2/t19-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one?
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 344.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 95211537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).