N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H20F3N3O2 — CID 79082179

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1CCOC(CNC(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C12H20F3N3O2/c1-18-4-5-20-9(7-18)6-17-10(19)11(12(13,14)15)2-3-16-8-11/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyIGQIVOVEKWGJGN-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.02
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 79082179) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID79082179
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1CCOC(CNC(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C12H20F3N3O2/c1-18-4-5-20-9(7-18)6-17-10(19)11(12(13,14)15)2-3-16-8-11/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyIGQIVOVEKWGJGN-UHFFFAOYSA-N
XLogP-0.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 79070971
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
CID 115295108
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 138022732
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 104598338

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 79082179) is N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN1CCOC(CNC(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is IGQIVOVEKWGJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-18-4-5-20-9(7-18)6-17-10(19)11(12(13,14)15)2-3-16-8-11/h9,16H,2-8H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79082179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).