1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one

C16H24F3N3O2 — CID 94628072

IUPAC1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)14(23)21-8-5-11(6-9-21)22-10-7-20-15(22)24/h11-13H,1-10H2,(H,20,24)/t12-,13-/m0/s1
InChIKeyLCFKPEWQXQZONU-STQMWFEESA-N
MW347.38 g/mol
LogP2.37
Rot. Bonds2

About 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 94628072) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID94628072
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)14(23)21-8-5-11(6-9-21)22-10-7-20-15(22)24/h11-13H,1-10H2,(H,20,24)/t12-,13-/m0/s1
InChIKeyLCFKPEWQXQZONU-STQMWFEESA-N
XLogP2.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one (CID 94628072) is 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one is O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is LCFKPEWQXQZONU-STQMWFEESA-N. The full InChI is InChI=1S/C16H24F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)14(23)21-8-5-11(6-9-21)22-10-7-20-15(22)24/h11-13H,1-10H2,(H,20,24)/t12-,13-/m0/s1.
What are the key properties of 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 347.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 94628072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).