(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one

C19H27N3O3 — CID 134705709

IUPAC(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N2CCN(C)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-14(2)22-16(23)13-25-18(17(22)15-7-5-4-6-8-15)19(24)21-11-9-20(3)10-12-21/h4-8,14,17-18H,9-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyFWVKWGKGTMMGLZ-MSOLQXFVSA-N
MW345.44 g/mol
LogP1.14
Rot. Bonds3

About (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one

(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one (PubChem CID 134705709) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
PubChem CID134705709
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N2CCN(C)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-14(2)22-16(23)13-25-18(17(22)15-7-5-4-6-8-15)19(24)21-11-9-20(3)10-12-21/h4-8,14,17-18H,9-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyFWVKWGKGTMMGLZ-MSOLQXFVSA-N
XLogP1.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134696637
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
CID 154913355
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(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
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134702501
(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134709715
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one (CID 134705709) is (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one is CC(C)N1C(=O)CO[C@H](C(=O)N2CCN(C)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one?
The InChIKey is FWVKWGKGTMMGLZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)22-16(23)13-25-18(17(22)15-7-5-4-6-8-15)19(24)21-11-9-20(3)10-12-21/h4-8,14,17-18H,9-13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one?
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one has a molecular weight of 345.44 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 134705709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).