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

C22H26ClN3O2 — CID 122260812

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)n1
InChIInChI=1S/C22H26ClN3O2/c1-16-24-13-10-20(25-16)28-19-5-4-14-26(15-19)21(27)22(11-2-3-12-22)17-6-8-18(23)9-7-17/h6-10,13,19H,2-5,11-12,14-15H2,1H3
InChIKeySJYRLJSMBBYEMU-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.32
Rot. Bonds4

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

[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122260812) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122260812
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)n1
InChIInChI=1S/C22H26ClN3O2/c1-16-24-13-10-20(25-16)28-19-5-4-14-26(15-19)21(27)22(11-2-3-12-22)17-6-8-18(23)9-7-17/h6-10,13,19H,2-5,11-12,14-15H2,1H3
InChIKeySJYRLJSMBBYEMU-UHFFFAOYSA-N
XLogP4.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122260878
[1-(4-chlorophenyl)cyclopentyl]-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259377
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258384
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
[2-methyl-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-1-oxopropan-2-yl] acetate
CID 122260957
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122261417

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122260812) is [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is Cc1nccc(OC2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)n1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is SJYRLJSMBBYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-24-13-10-20(25-16)28-19-5-4-14-26(15-19)21(27)22(11-2-3-12-22)17-6-8-18(23)9-7-17/h6-10,13,19H,2-5,11-12,14-15H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 399.92 g/mol, XLogP of 4.32, 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-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122260812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).