6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H26F3N3O3 — CID 44527524

IUPAC6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c25-21(23-19-7-8-19)18-6-9-20(22-15-18)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-6,9,15,17,19H,7-8,10-14H2,(H,23,25);(H,6,7)
InChIKeyNPDBACIIMUFFAF-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.07
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527524) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527524
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c25-21(23-19-7-8-19)18-6-9-20(22-15-18)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-6,9,15,17,19H,7-8,10-14H2,(H,23,25);(H,6,7)
InChIKeyNPDBACIIMUFFAF-UHFFFAOYSA-N
XLogP4.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527524) is 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NPDBACIIMUFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C2HF3O2/c25-21(23-19-7-8-19)18-6-9-20(22-15-18)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-6,9,15,17,19H,7-8,10-14H2,(H,23,25);(H,6,7).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).