[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C26H32F3N3O2 — CID 11408904

IUPAC[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)N1CCC(Oc2ccc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cc2)CC1
InChIInChI=1S/C26H32F3N3O2/c1-18(2)31-15-11-23(12-16-31)34-22-6-3-19(4-7-22)20-9-13-32(14-10-20)25(33)21-5-8-24(30-17-21)26(27,28)29/h3-8,17-18,20,23H,9-16H2,1-2H3
InChIKeyVRSKXLFHDYYTGZ-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.37
Rot. Bonds5

About [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 11408904) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID11408904
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)N1CCC(Oc2ccc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cc2)CC1
InChIInChI=1S/C26H32F3N3O2/c1-18(2)31-15-11-23(12-16-31)34-22-6-3-19(4-7-22)20-9-13-32(14-10-20)25(33)21-5-8-24(30-17-21)26(27,28)29/h3-8,17-18,20,23H,9-16H2,1-2H3
InChIKeyVRSKXLFHDYYTGZ-UHFFFAOYSA-N
XLogP5.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 11408904) is [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is CC(C)N1CCC(Oc2ccc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cc2)CC1.
What is the InChIKey of [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is VRSKXLFHDYYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-18(2)31-15-11-23(12-16-31)34-22-6-3-19(4-7-22)20-9-13-32(14-10-20)25(33)21-5-8-24(30-17-21)26(27,28)29/h3-8,17-18,20,23H,9-16H2,1-2H3.
What are the key properties of [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 475.56 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 11408904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).