3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide

C21H24F3N3O2 — CID 24792975

IUPAC3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C21H24F3N3O2/c1-29-18-7-3-2-5-15(18)8-11-20(28)26-17-6-4-12-27(14-17)19-10-9-16(13-25-19)21(22,23)24/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3,(H,26,28)
InChIKeyQFOHONOLSKIYTE-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.83
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide

3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide (PubChem CID 24792975) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
PubChem CID24792975
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C21H24F3N3O2/c1-29-18-7-3-2-5-15(18)8-11-20(28)26-17-6-4-12-27(14-17)19-10-9-16(13-25-19)21(22,23)24/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3,(H,26,28)
InChIKeyQFOHONOLSKIYTE-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide 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 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide (CID 24792975) is 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide is COc1ccccc1CCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
The InChIKey is QFOHONOLSKIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-29-18-7-3-2-5-15(18)8-11-20(28)26-17-6-4-12-27(14-17)19-10-9-16(13-25-19)21(22,23)24/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3,(H,26,28).
What are the key properties of 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 24792975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).