(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one

C18H25N3O3 — CID 95738132

IUPAC(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
SMILESCCN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-3-20-9-11-21(12-10-20)18(23)17-16(14-7-5-4-6-8-14)19(2)15(22)13-24-17/h4-8,16-17H,3,9-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyMFDDTHCIGLSXGT-DLBZAZTESA-N
MW331.42 g/mol
LogP0.75
Rot. Bonds3

About (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one

(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one (PubChem CID 95738132) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
PubChem CID95738132
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
SMILESCCN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-3-20-9-11-21(12-10-20)18(23)17-16(14-7-5-4-6-8-14)19(2)15(22)13-24-17/h4-8,16-17H,3,9-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyMFDDTHCIGLSXGT-DLBZAZTESA-N
XLogP0.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.75
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)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747
(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
CID 97457457
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
CID 95739584
5-(3-fluorophenyl)-4-methyl-6-(4-prop-2-enyl-1,4-diazepane-1-carbonyl)morpholin-3-one
CID 110280908

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one?
The IUPAC name of (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one (CID 95738132) is (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one.
What is the SMILES notation for (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one?
The canonical SMILES for (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one is CCN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1.
What is the InChIKey of (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one?
The InChIKey is MFDDTHCIGLSXGT-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-20-9-11-21(12-10-20)18(23)17-16(14-7-5-4-6-8-14)19(2)15(22)13-24-17/h4-8,16-17H,3,9-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one?
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one has a molecular weight of 331.42 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one is sourced from PubChem (CID 95738132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).