2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone

C24H28F3N3O2 — CID 58456861

IUPAC2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone
SMILESO=C(CC1CCNCC1)c1ccnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)19-1-3-20(4-2-19)30-13-8-21(9-14-30)32-23-16-18(7-12-29-23)22(31)15-17-5-10-28-11-6-17/h1-4,7,12,16-17,21,28H,5-6,8-11,13-15H2
InChIKeyIRXSOEATDWQZIS-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.72
Rot. Bonds6

About 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone

2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone (PubChem CID 58456861) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone
PubChem CID58456861
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone
SMILESO=C(CC1CCNCC1)c1ccnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)19-1-3-20(4-2-19)30-13-8-21(9-14-30)32-23-16-18(7-12-29-23)22(31)15-17-5-10-28-11-6-17/h1-4,7,12,16-17,21,28H,5-6,8-11,13-15H2
InChIKeyIRXSOEATDWQZIS-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone?
The IUPAC name of 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone (CID 58456861) is 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone.
What is the SMILES notation for 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone?
The canonical SMILES for 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone is O=C(CC1CCNCC1)c1ccnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone?
The InChIKey is IRXSOEATDWQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c25-24(26,27)19-1-3-20(4-2-19)30-13-8-21(9-14-30)32-23-16-18(7-12-29-23)22(31)15-17-5-10-28-11-6-17/h1-4,7,12,16-17,21,28H,5-6,8-11,13-15H2.
What are the key properties of 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone?
2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone has a molecular weight of 447.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone is sourced from PubChem (CID 58456861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).