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

C18H28N2O2 — CID 110412296

IUPAC1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(CCc2cccc(OC)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-3-4-8-18(21)20-13-11-19(12-14-20)10-9-16-6-5-7-17(15-16)22-2/h5-7,15H,3-4,8-14H2,1-2H3
InChIKeyRYIZUKMUYBUKOZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds7

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

1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one (PubChem CID 110412296) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
PubChem CID110412296
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(CCc2cccc(OC)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-3-4-8-18(21)20-13-11-19(12-14-20)10-9-16-6-5-7-17(15-16)22-2/h5-7,15H,3-4,8-14H2,1-2H3
InChIKeyRYIZUKMUYBUKOZ-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110412322
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110412088
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
3-(3-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 110409956

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one (CID 110412296) is 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(CCc2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one?
The InChIKey is RYIZUKMUYBUKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-4-8-18(21)20-13-11-19(12-14-20)10-9-16-6-5-7-17(15-16)22-2/h5-7,15H,3-4,8-14H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one?
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110412296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).