(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C15H20F3N3O2 — CID 129479800

IUPAC(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C1(O)CCCC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)11-8-19-12(20-11)10-4-3-7-21(9-10)13(22)14(23)5-1-2-6-14/h8,10,23H,1-7,9H2,(H,19,20)/t10-/m0/s1
InChIKeyVOGBMEADWNXTQF-JTQLQIEISA-N
MW331.34 g/mol
LogP2.44
Rot. Bonds2

About (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129479800) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID129479800
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C1(O)CCCC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)11-8-19-12(20-11)10-4-3-7-21(9-10)13(22)14(23)5-1-2-6-14/h8,10,23H,1-7,9H2,(H,19,20)/t10-/m0/s1
InChIKeyVOGBMEADWNXTQF-JTQLQIEISA-N
XLogP2.44
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 129479800) is (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is O=C(N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C1(O)CCCC1.
What is the InChIKey of (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is VOGBMEADWNXTQF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)11-8-19-12(20-11)10-4-3-7-21(9-10)13(22)14(23)5-1-2-6-14/h8,10,23H,1-7,9H2,(H,19,20)/t10-/m0/s1.
What are the key properties of (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 331.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129479800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).