(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one

C18H24N2O3 — CID 97457457

IUPAC(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
SMILESCc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O3/c1-13-6-8-14(9-7-13)16-17(23-12-15(21)19(16)2)18(22)20-10-4-3-5-11-20/h6-9,16-17H,3-5,10-12H2,1-2H3/t16-,17+/m1/s1
InChIKeyIORIWPABUKOWAU-SJORKVTESA-N
MW316.40 g/mol
LogP1.91
Rot. Bonds2

About (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one

(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one (PubChem CID 97457457) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
PubChem CID97457457
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
SMILESCc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O3/c1-13-6-8-14(9-7-13)16-17(23-12-15(21)19(16)2)18(22)20-10-4-3-5-11-20/h6-9,16-17H,3-5,10-12H2,1-2H3/t16-,17+/m1/s1
InChIKeyIORIWPABUKOWAU-SJORKVTESA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953848
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
CID 95739584
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
6-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]-4-methyl-5-(4-methylphenyl)morpholin-3-one
CID 110280979
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 97457634

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one (CID 97457457) is (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one is Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1.
What is the InChIKey of (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one?
The InChIKey is IORIWPABUKOWAU-SJORKVTESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-6-8-14(9-7-13)16-17(23-12-15(21)19(16)2)18(22)20-10-4-3-5-11-20/h6-9,16-17H,3-5,10-12H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one?
(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one has a molecular weight of 316.40 g/mol, XLogP of 1.91, 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-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 97457457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).