4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide

C20H23F3N4O2 — CID 122517010

IUPAC4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide
SMILESNCc1cc(OCC2CCN(C(=O)Nc3ccccc3)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)17-10-15(12-24)11-18(26-17)29-13-14-6-8-27(9-7-14)19(28)25-16-4-2-1-3-5-16/h1-5,10-11,14H,6-9,12-13,24H2,(H,25,28)
InChIKeyHOWFLZVASJDZRZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.88
Rot. Bonds5

About 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide

4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 122517010) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID122517010
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide
SMILESNCc1cc(OCC2CCN(C(=O)Nc3ccccc3)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)17-10-15(12-24)11-18(26-17)29-13-14-6-8-27(9-7-14)19(28)25-16-4-2-1-3-5-16/h1-5,10-11,14H,6-9,12-13,24H2,(H,25,28)
InChIKeyHOWFLZVASJDZRZ-UHFFFAOYSA-N
XLogP3.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide (CID 122517010) is 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide is NCc1cc(OCC2CCN(C(=O)Nc3ccccc3)CC2)nc(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is HOWFLZVASJDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c21-20(22,23)17-10-15(12-24)11-18(26-17)29-13-14-6-8-27(9-7-14)19(28)25-16-4-2-1-3-5-16/h1-5,10-11,14H,6-9,12-13,24H2,(H,25,28).
What are the key properties of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide?
4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 122517010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).