1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide

C22H25F3N2O3 — CID 122194676

IUPAC1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(CC(O)COc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-16(11-13-27)21(29)26-18-4-2-1-3-5-18/h1-9,16,19,28H,10-15H2,(H,26,29)
InChIKeyMQDHWFBAOKEPSN-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.80
Rot. Bonds7

About 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide

1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 122194676) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide
PubChem CID122194676
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(CC(O)COc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-16(11-13-27)21(29)26-18-4-2-1-3-5-18/h1-9,16,19,28H,10-15H2,(H,26,29)
InChIKeyMQDHWFBAOKEPSN-UHFFFAOYSA-N
XLogP3.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide (CID 122194676) is 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(CC(O)COc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MQDHWFBAOKEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-16(11-13-27)21(29)26-18-4-2-1-3-5-18/h1-9,16,19,28H,10-15H2,(H,26,29).
What are the key properties of 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide?
1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 122194676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).