2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone

C17H21F4N3O — CID 133372040

IUPAC2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H21F4N3O/c18-13-15(14(19)17(21)22-16(13)20)24-8-6-23(7-9-24)12(25)10-11-4-2-1-3-5-11/h11H,1-10H2
InChIKeyQUJFFRAHRYONRD-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.26
Rot. Bonds3

About 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 133372040) has the molecular formula C17H21F4N3O and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
PubChem CID133372040
Molecular FormulaC17H21F4N3O
Molecular Weight359.37 g/mol
Exact Mass359.16
IUPAC Name2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H21F4N3O/c18-13-15(14(19)17(21)22-16(13)20)24-8-6-23(7-9-24)12(25)10-11-4-2-1-3-5-11/h11H,1-10H2
InChIKeyQUJFFRAHRYONRD-UHFFFAOYSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053451
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone (CID 133372040) is 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is QUJFFRAHRYONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N3O/c18-13-15(14(19)17(21)22-16(13)20)24-8-6-23(7-9-24)12(25)10-11-4-2-1-3-5-11/h11H,1-10H2.
What are the key properties of 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 359.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133372040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).