(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one

C18H24N2O3 — CID 98768939

IUPAC(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESC[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c1-13-7-6-10-20(11-13)18(22)17-16(14-8-4-3-5-9-14)19(2)15(21)12-23-17/h3-5,8-9,13,16-17H,6-7,10-12H2,1-2H3/t13-,16-,17+/m1/s1
InChIKeySGHHLWGUZWCROH-XYPHTWIQSA-N
MW316.40 g/mol
LogP1.84
Rot. Bonds2

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

(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one (PubChem CID 98768939) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
PubChem CID98768939
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESC[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c1-13-7-6-10-20(11-13)18(22)17-16(14-8-4-3-5-9-14)19(2)15(21)12-23-17/h3-5,8-9,13,16-17H,6-7,10-12H2,1-2H3/t13-,16-,17+/m1/s1
InChIKeySGHHLWGUZWCROH-XYPHTWIQSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one with MolForge

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Related Compounds

(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 97457634
(5R,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 98881799
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953848
(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,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
CID 95739584

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one (CID 98768939) is (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one is C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1.
What is the InChIKey of (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one?
The InChIKey is SGHHLWGUZWCROH-XYPHTWIQSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-7-6-10-20(11-13)18(22)17-16(14-8-4-3-5-9-14)19(2)15(21)12-23-17/h3-5,8-9,13,16-17H,6-7,10-12H2,1-2H3/t13-,16-,17+/m1/s1.
What are the key properties of (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one?
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one has a molecular weight of 316.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one is sourced from PubChem (CID 98768939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).