[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

C21H23ClFN3O2 — CID 122258384

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(N1CCCC(Oc2ncc(F)cn2)C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H23ClFN3O2/c22-16-7-5-15(6-8-16)21(9-1-2-10-21)19(27)26-11-3-4-18(14-26)28-20-24-12-17(23)13-25-20/h5-8,12-13,18H,1-4,9-11,14H2
InChIKeyBETNUPHUIJFILG-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.15
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122258384) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122258384
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(N1CCCC(Oc2ncc(F)cn2)C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H23ClFN3O2/c22-16-7-5-15(6-8-16)21(9-1-2-10-21)19(27)26-11-3-4-18(14-26)28-20-24-12-17(23)13-25-20/h5-8,12-13,18H,1-4,9-11,14H2
InChIKeyBETNUPHUIJFILG-UHFFFAOYSA-N
XLogP4.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259377
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260812
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
3-(3-chloro-4-fluorophenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122267241
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122258384) is [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is O=C(N1CCCC(Oc2ncc(F)cn2)C1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is BETNUPHUIJFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-16-7-5-15(6-8-16)21(9-1-2-10-21)19(27)26-11-3-4-18(14-26)28-20-24-12-17(23)13-25-20/h5-8,12-13,18H,1-4,9-11,14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 403.89 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122258384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).