1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one

C14H16F4N4O — CID 154464385

IUPAC1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C14H16F4N4O/c15-11-7-9(14(16,17)18)8-20-12(11)21-4-1-10(2-5-21)22-6-3-19-13(22)23/h7-8,10H,1-6H2,(H,19,23)
InChIKeySLCYUVMDXLKQAJ-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.23
Rot. Bonds2

About 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 154464385) has the molecular formula C14H16F4N4O and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID154464385
Molecular FormulaC14H16F4N4O
Molecular Weight332.30 g/mol
Exact Mass332.13
IUPAC Name1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C14H16F4N4O/c15-11-7-9(14(16,17)18)8-20-12(11)21-4-1-10(2-5-21)22-6-3-19-13(22)23/h7-8,10H,1-6H2,(H,19,23)
InChIKeySLCYUVMDXLKQAJ-UHFFFAOYSA-N
XLogP2.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one (CID 154464385) is 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(c2ncc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is SLCYUVMDXLKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N4O/c15-11-7-9(14(16,17)18)8-20-12(11)21-4-1-10(2-5-21)22-6-3-19-13(22)23/h7-8,10H,1-6H2,(H,19,23).
What are the key properties of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 332.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 154464385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).