3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C20H28F3N3O2 — CID 42863888

IUPAC3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(CN2CCOCC2)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H28F3N3O2/c1-14(2)24-19(27)26-12-16(11-25-6-8-28-9-7-25)18(13-26)15-4-3-5-17(10-15)20(21,22)23/h3-5,10,14,16,18H,6-9,11-13H2,1-2H3,(H,24,27)
InChIKeyHAPYUCMUJJIVAR-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.17
Rot. Bonds4

About 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 42863888) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID42863888
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(CN2CCOCC2)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H28F3N3O2/c1-14(2)24-19(27)26-12-16(11-25-6-8-28-9-7-25)18(13-26)15-4-3-5-17(10-15)20(21,22)23/h3-5,10,14,16,18H,6-9,11-13H2,1-2H3,(H,24,27)
InChIKeyHAPYUCMUJJIVAR-UHFFFAOYSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 42863888) is 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is CC(C)NC(=O)N1CC(CN2CCOCC2)C(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is HAPYUCMUJJIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-14(2)24-19(27)26-12-16(11-25-6-8-28-9-7-25)18(13-26)15-4-3-5-17(10-15)20(21,22)23/h3-5,10,14,16,18H,6-9,11-13H2,1-2H3,(H,24,27).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 42863888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).