3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one

C16H22N2O2 — CID 112723099

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
SMILESCOc1ccccc1N1CCN(C2CCC(=O)C2)CC1
InChIInChI=1S/C16H22N2O2/c1-20-16-5-3-2-4-15(16)18-10-8-17(9-11-18)13-6-7-14(19)12-13/h2-5,13H,6-12H2,1H3
InChIKeyCAEISLMQWPSPRZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.94
Rot. Bonds3

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one

3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one (PubChem CID 112723099) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
PubChem CID112723099
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
SMILESCOc1ccccc1N1CCN(C2CCC(=O)C2)CC1
InChIInChI=1S/C16H22N2O2/c1-20-16-5-3-2-4-15(16)18-10-8-17(9-11-18)13-6-7-14(19)12-13/h2-5,13H,6-12H2,1H3
InChIKeyCAEISLMQWPSPRZ-UHFFFAOYSA-N
XLogP1.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
2-(2-methoxyphenyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
CID 15665473
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26140211

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one (CID 112723099) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one is COc1ccccc1N1CCN(C2CCC(=O)C2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one?
The InChIKey is CAEISLMQWPSPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-16-5-3-2-4-15(16)18-10-8-17(9-11-18)13-6-7-14(19)12-13/h2-5,13H,6-12H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one?
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 112723099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).