N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide

C11H16F3N3O3 — CID 146314066

IUPACN-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide
SMILESO=C(NCC1CN(C(=O)C(F)(F)F)CCO1)C1CNC1
InChIInChI=1S/C11H16F3N3O3/c12-11(13,14)10(19)17-1-2-20-8(6-17)5-16-9(18)7-3-15-4-7/h7-8,15H,1-6H2,(H,16,18)
InChIKeyXMABXJCDAUYHKR-UHFFFAOYSA-N
MW295.26 g/mol
LogP-0.89
Rot. Bonds3

About N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide

N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide (PubChem CID 146314066) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide
PubChem CID146314066
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC NameN-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide
SMILESO=C(NCC1CN(C(=O)C(F)(F)F)CCO1)C1CNC1
InChIInChI=1S/C11H16F3N3O3/c12-11(13,14)10(19)17-1-2-20-8(6-17)5-16-9(18)7-3-15-4-7/h7-8,15H,1-6H2,(H,16,18)
InChIKeyXMABXJCDAUYHKR-UHFFFAOYSA-N
XLogP-0.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide (CID 146314066) is N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide is O=C(NCC1CN(C(=O)C(F)(F)F)CCO1)C1CNC1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide?
The InChIKey is XMABXJCDAUYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c12-11(13,14)10(19)17-1-2-20-8(6-17)5-16-9(18)7-3-15-4-7/h7-8,15H,1-6H2,(H,16,18).
What are the key properties of N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide?
N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide has a molecular weight of 295.26 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 146314066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).