3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one

C18H24F2N2O2 — CID 95759452

IUPAC3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1c(F)cccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C18H24F2N2O2/c19-14-3-1-4-15(20)13(14)7-8-18(24)22-11-9-21(10-12-22)16-5-2-6-17(16)23/h1,3-4,16-17,23H,2,5-12H2/t16-,17-/m1/s1
InChIKeyFTLCGIKHGYAPNS-IAGOWNOFSA-N
MW338.40 g/mol
LogP1.96
Rot. Bonds4

About 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one

3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one (PubChem CID 95759452) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
PubChem CID95759452
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1c(F)cccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C18H24F2N2O2/c19-14-3-1-4-15(20)13(14)7-8-18(24)22-11-9-21(10-12-22)16-5-2-6-17(16)23/h1,3-4,16-17,23H,2,5-12H2/t16-,17-/m1/s1
InChIKeyFTLCGIKHGYAPNS-IAGOWNOFSA-N
XLogP1.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(2,6-difluorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759453
3-(2,5-difluorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759252
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
CID 124733179
3-(2-ethoxyphenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758962
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96500760
1-(1,4-diazepan-1-yl)-3-(2,6-difluorophenyl)propan-1-one
CID 83925366
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758842
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 96500899

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one (CID 95759452) is 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one is O=C(CCc1c(F)cccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
The InChIKey is FTLCGIKHGYAPNS-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-14-3-1-4-15(20)13(14)7-8-18(24)22-11-9-21(10-12-22)16-5-2-6-17(16)23/h1,3-4,16-17,23H,2,5-12H2/t16-,17-/m1/s1.
What are the key properties of 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one?
3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one has a molecular weight of 338.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95759452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).