(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

C17H18F3N3O3 — CID 2377275

IUPAC(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESC=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H18F3N3O3/c1-10-13(15(24)23-6-8-26-9-7-23)14(22-16(25)21-10)11-4-2-3-5-12(11)17(18,19)20/h2-5,13-14H,1,6-9H2,(H2,21,22,25)/t13-,14-/m0/s1
InChIKeyHBQBWRFKABCQAJ-KBPBESRZSA-N
MW369.34 g/mol
LogP2.05
Rot. Bonds2

About (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 2377275) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
PubChem CID2377275
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESC=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H18F3N3O3/c1-10-13(15(24)23-6-8-26-9-7-23)14(22-16(25)21-10)11-4-2-3-5-12(11)17(18,19)20/h2-5,13-14H,1,6-9H2,(H2,21,22,25)/t13-,14-/m0/s1
InChIKeyHBQBWRFKABCQAJ-KBPBESRZSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2392565
(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2375857
(4R,5S)-4-(2,4-dimethylphenyl)-6-methylidene-5-(morpholine-4-carbonyl)-1,3-diazinan-2-one
CID 2377246
(4S,5R)-4-(2-chlorophenyl)-6-methylidene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2445241
[(4R,5S)-4-(2,3-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-ylmethanone
CID 2416829
[(4S,5S)-4-(4-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-ylmethanone
CID 2411564
4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 3567102
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
(4R,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2422962
morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
CID 819622
oxolan-3-yl-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 86786762
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (CID 2377275) is (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is C=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is HBQBWRFKABCQAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-10-13(15(24)23-6-8-26-9-7-23)14(22-16(25)21-10)11-4-2-3-5-12(11)17(18,19)20/h2-5,13-14H,1,6-9H2,(H2,21,22,25)/t13-,14-/m0/s1.
What are the key properties of (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 369.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 2377275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).