N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide

C12H18F3N3O3 — CID 83099006

IUPACN-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H18F3N3O3/c1-16-9(19)8-6-21-5-4-18(8)10(20)11(12(13,14)15)2-3-17-7-11/h8,17H,2-7H2,1H3,(H,16,19)
InChIKeyGXPGOKDJSTXQQE-UHFFFAOYSA-N
MW309.29 g/mol
LogP-0.50
Rot. Bonds2

About N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide

N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide (PubChem CID 83099006) has the molecular formula C12H18F3N3O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
PubChem CID83099006
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC NameN-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H18F3N3O3/c1-16-9(19)8-6-21-5-4-18(8)10(20)11(12(13,14)15)2-3-17-7-11/h8,17H,2-7H2,1H3,(H,16,19)
InChIKeyGXPGOKDJSTXQQE-UHFFFAOYSA-N
XLogP-0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 63709885
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
CID 63708258
4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide
CID 83104870
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
3,3-dimethyl-2-[3-(methylcarbamoyl)morpholine-4-carbonyl]butanoic acid
CID 116537418
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-[2-(azetidin-3-ylidene)propanoyl]-N-methylmorpholine-3-carboxamide
CID 116678793

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide (CID 83099006) is N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide?
The InChIKey is GXPGOKDJSTXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3/c1-16-9(19)8-6-21-5-4-18(8)10(20)11(12(13,14)15)2-3-17-7-11/h8,17H,2-7H2,1H3,(H,16,19).
What are the key properties of N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide?
N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide has a molecular weight of 309.29 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide is sourced from PubChem (CID 83099006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).