2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C24H30F3N3O2 — CID 25125034

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(C)c1O
InChIInChI=1S/C24H30F3N3O2/c1-14-7-9-30(10-8-14)22-18(5-6-20(29-22)24(25,26)27)13-28-23(32)17(4)19-11-15(2)21(31)16(3)12-19/h5-6,11-12,14,17,31H,7-10,13H2,1-4H3,(H,28,32)
InChIKeyBIFKWUHXVQYZLD-UHFFFAOYSA-N
MW449.52 g/mol
LogP5.08
Rot. Bonds5

About 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 25125034) has the molecular formula C24H30F3N3O2 and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID25125034
Molecular FormulaC24H30F3N3O2
Molecular Weight449.52 g/mol
Exact Mass449.23
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(C)c1O
InChIInChI=1S/C24H30F3N3O2/c1-14-7-9-30(10-8-14)22-18(5-6-20(29-22)24(25,26)27)13-28-23(32)17(4)19-11-15(2)21(31)16(3)12-19/h5-6,11-12,14,17,31H,7-10,13H2,1-4H3,(H,28,32)
InChIKeyBIFKWUHXVQYZLD-UHFFFAOYSA-N
XLogP5.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 25125034) is 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is Cc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(C)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is BIFKWUHXVQYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2/c1-14-7-9-30(10-8-14)22-18(5-6-20(29-22)24(25,26)27)13-28-23(32)17(4)19-11-15(2)21(31)16(3)12-19/h5-6,11-12,14,17,31H,7-10,13H2,1-4H3,(H,28,32).
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 449.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25125034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).