(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one

C20H28N2O5 — CID 134696637

IUPAC(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N2CCC(O)(CO)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H28N2O5/c1-14(2)22-16(24)12-27-18(17(22)15-6-4-3-5-7-15)19(25)21-10-8-20(26,13-23)9-11-21/h3-7,14,17-18,23,26H,8-13H2,1-2H3/t17-,18+/m1/s1
InChIKeyKARKILFTZNEMGX-MSOLQXFVSA-N
MW376.45 g/mol
LogP0.71
Rot. Bonds4

About (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one

(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one (PubChem CID 134696637) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
PubChem CID134696637
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N2CCC(O)(CO)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H28N2O5/c1-14(2)22-16(24)12-27-18(17(22)15-6-4-3-5-7-15)19(25)21-10-8-20(26,13-23)9-11-21/h3-7,14,17-18,23,26H,8-13H2,1-2H3/t17-,18+/m1/s1
InChIKeyKARKILFTZNEMGX-MSOLQXFVSA-N
XLogP0.71
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one with MolForge

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Related Compounds

(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
CID 154913355
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134695849
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176
(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134710294
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134702501
(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134698034

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one (CID 134696637) is (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one is CC(C)N1C(=O)CO[C@H](C(=O)N2CCC(O)(CO)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one?
The InChIKey is KARKILFTZNEMGX-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14(2)22-16(24)12-27-18(17(22)15-6-4-3-5-7-15)19(25)21-10-8-20(26,13-23)9-11-21/h3-7,14,17-18,23,26H,8-13H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one?
(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one has a molecular weight of 376.45 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 134696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).