1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one

C18H22F3N3O2 — CID 166246481

IUPAC1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)15-5-4-13(12-22-15)11-17(26)23-9-6-14(7-10-23)24-8-2-1-3-16(24)25/h4-5,12,14H,1-3,6-11H2
InChIKeyJUUGZPGOLFVIFP-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.65
Rot. Bonds3

About 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one

1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one (PubChem CID 166246481) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
PubChem CID166246481
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)15-5-4-13(12-22-15)11-17(26)23-9-6-14(7-10-23)24-8-2-1-3-16(24)25/h4-5,12,14H,1-3,6-11H2
InChIKeyJUUGZPGOLFVIFP-UHFFFAOYSA-N
XLogP2.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one (CID 166246481) is 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one is O=C(Cc1ccc(C(F)(F)F)nc1)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one?
The InChIKey is JUUGZPGOLFVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)15-5-4-13(12-22-15)11-17(26)23-9-6-14(7-10-23)24-8-2-1-3-16(24)25/h4-5,12,14H,1-3,6-11H2.
What are the key properties of 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one?
1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one has a molecular weight of 369.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 166246481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).