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

C17H23N3O3 — CID 95738127

IUPAC(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESCN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-18-8-10-20(11-9-18)17(22)16-15(13-6-4-3-5-7-13)19(2)14(21)12-23-16/h3-7,15-16H,8-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyFBZJHPOYFFZLAQ-HOTGVXAUSA-N
MW317.39 g/mol
LogP0.36
Rot. Bonds2

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

(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one (PubChem CID 95738127) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
PubChem CID95738127
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESCN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-18-8-10-20(11-9-18)17(22)16-15(13-6-4-3-5-7-13)19(2)14(21)12-23-16/h3-7,15-16H,8-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyFBZJHPOYFFZLAQ-HOTGVXAUSA-N
XLogP0.36
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939
(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
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
CID 95739584
(5R,6R)-5-(4-fluorophenyl)-4-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)morpholin-3-one
CID 97457467
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The IUPAC name of (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one (CID 95738127) is (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one.
What is the SMILES notation for (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The canonical SMILES for (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one is CN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1.
What is the InChIKey of (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The InChIKey is FBZJHPOYFFZLAQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-8-10-20(11-9-18)17(22)16-15(13-6-4-3-5-7-13)19(2)14(21)12-23-16/h3-7,15-16H,8-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one has a molecular weight of 317.39 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one is sourced from PubChem (CID 95738127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).