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

C16H22F3N3O2 — CID 129479728

IUPAC(1-hydroxycyclohexyl)-[(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)CCCCC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)12-9-20-13(21-12)11-5-4-8-22(10-11)14(23)15(24)6-2-1-3-7-15/h9,11,24H,1-8,10H2,(H,20,21)/t11-/m0/s1
InChIKeyASSUQZSZEUIIMS-NSHDSACASA-N
MW345.37 g/mol
LogP2.83
Rot. Bonds2

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

(1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129479728) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID129479728
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(1-hydroxycyclohexyl)-[(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)CCCCC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)12-9-20-13(21-12)11-5-4-8-22(10-11)14(23)15(24)6-2-1-3-7-15/h9,11,24H,1-8,10H2,(H,20,21)/t11-/m0/s1
InChIKeyASSUQZSZEUIIMS-NSHDSACASA-N
XLogP2.83
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 129479728) is (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclohexyl)-[(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)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ASSUQZSZEUIIMS-NSHDSACASA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)12-9-20-13(21-12)11-5-4-8-22(10-11)14(23)15(24)6-2-1-3-7-15/h9,11,24H,1-8,10H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129479728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).