2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C16H22F3N3O2 — CID 111540290

IUPAC2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCC1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)12-10-20-14(21-12)11-3-7-22(8-4-11)13(23)9-15(24)5-1-2-6-15/h10-11,24H,1-9H2,(H,20,21)
InChIKeyLFEUNSFSVOMSLJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.83
Rot. Bonds3

About 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 111540290) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID111540290
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCC1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)12-10-20-14(21-12)11-3-7-22(8-4-11)13(23)9-15(24)5-1-2-6-15/h10-11,24H,1-9H2,(H,20,21)
InChIKeyLFEUNSFSVOMSLJ-UHFFFAOYSA-N
XLogP2.83
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 111540290) is 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is O=C(CC1(O)CCCC1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is LFEUNSFSVOMSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)12-10-20-14(21-12)11-3-7-22(8-4-11)13(23)9-15(24)5-1-2-6-15/h10-11,24H,1-9H2,(H,20,21).
What are the key properties of 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 345.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 111540290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).