2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid

C21H27F3N2O4 — CID 175624835

IUPAC2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CN(c2cncc(OCC3CCC(C(F)(F)F)CC3)c2)CCO1
InChIInChI=1S/C21H27F3N2O4/c22-21(23,24)14-3-1-13(2-4-14)12-30-16-7-15(9-25-10-16)26-5-6-29-19(11-26)17-8-18(17)20(27)28/h7,9-10,13-14,17-19H,1-6,8,11-12H2,(H,27,28)
InChIKeyAVXWJFLYQJFLLL-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid

2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 175624835) has the molecular formula C21H27F3N2O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
PubChem CID175624835
Molecular FormulaC21H27F3N2O4
Molecular Weight428.45 g/mol
Exact Mass428.19
IUPAC Name2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CN(c2cncc(OCC3CCC(C(F)(F)F)CC3)c2)CCO1
InChIInChI=1S/C21H27F3N2O4/c22-21(23,24)14-3-1-13(2-4-14)12-30-16-7-15(9-25-10-16)26-5-6-29-19(11-26)17-8-18(17)20(27)28/h7,9-10,13-14,17-19H,1-6,8,11-12H2,(H,27,28)
InChIKeyAVXWJFLYQJFLLL-UHFFFAOYSA-N
XLogP3.76
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid (CID 175624835) is 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C1CN(c2cncc(OCC3CCC(C(F)(F)F)CC3)c2)CCO1.
What is the InChIKey of 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is AVXWJFLYQJFLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O4/c22-21(23,24)14-3-1-13(2-4-14)12-30-16-7-15(9-25-10-16)26-5-6-29-19(11-26)17-8-18(17)20(27)28/h7,9-10,13-14,17-19H,1-6,8,11-12H2,(H,27,28).
What are the key properties of 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?
2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 428.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 175624835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).