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

C15H20F3N3O2 — CID 110015961

IUPAC(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)12-8-19-13(20-12)9-4-6-21(7-5-9)14(23)10-2-1-3-11(10)22/h8-11,22H,1-7H2,(H,19,20)
InChIKeySAUXZCZTYSPOEA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.30
Rot. Bonds2

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

(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 110015961) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID110015961
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)12-8-19-13(20-12)9-4-6-21(7-5-9)14(23)10-2-1-3-11(10)22/h8-11,22H,1-7H2,(H,19,20)
InChIKeySAUXZCZTYSPOEA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide
CID 118888254
[1-(methoxymethyl)cyclobutyl]-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 100646017
[1-(methoxymethyl)cyclobutyl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 100646029
(1-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 111480911
2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 111540290
[1-(methoxymethyl)cyclobutyl]-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 121521825
3-hydroxy-3-methyl-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 128996731
(1-hydroxycyclopentyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129002515
(1-hydroxycyclohexyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129006535
(1-hydroxycyclohexyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479727
(1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479728
(1-hydroxycyclopentyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479800

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 110015961) is (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is O=C(C1CCCC1O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is SAUXZCZTYSPOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)12-8-19-13(20-12)9-4-6-21(7-5-9)14(23)10-2-1-3-11(10)22/h8-11,22H,1-7H2,(H,19,20).
What are the key properties of (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 331.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110015961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).