4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C12H13F3N2O4 — CID 167924843

IUPAC4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C12H13F3N2O4/c1-20-8-4-10(18)16-5-7(8)11(19)17-2-3-21-6-9(17)12(13,14)15/h4-5,9H,2-3,6H2,1H3,(H,16,18)
InChIKeyMSFCNMCSIFSHQN-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.79
Rot. Bonds2

About 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 167924843) has the molecular formula C12H13F3N2O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID167924843
Molecular FormulaC12H13F3N2O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C12H13F3N2O4/c1-20-8-4-10(18)16-5-7(8)11(19)17-2-3-21-6-9(17)12(13,14)15/h4-5,9H,2-3,6H2,1H3,(H,16,18)
InChIKeyMSFCNMCSIFSHQN-UHFFFAOYSA-N
XLogP0.79
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
CID 154784378
3-(trifluoromethyl)morpholine-4-carboxamide
CID 155634360
5-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564527
4-methoxy-5-[4-(6-methyl-3-pyridinyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 138026932
5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 138023364
[2-bromo-5-(trifluoromethyl)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832465
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040326
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one
CID 130359931

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 167924843) is 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is COc1cc(=O)[nH]cc1C(=O)N1CCOCC1C(F)(F)F.
What is the InChIKey of 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is MSFCNMCSIFSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4/c1-20-8-4-10(18)16-5-7(8)11(19)17-2-3-21-6-9(17)12(13,14)15/h4-5,9H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 306.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 167924843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).