1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone

C15H22N2O2 — CID 95468407

IUPAC1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
SMILESCCc1cc(C(=O)CN2CCNCC2)ccc1OC
InChIInChI=1S/C15H22N2O2/c1-3-12-10-13(4-5-15(12)19-2)14(18)11-17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyKLQKRUAYJAVERA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.35
Rot. Bonds5

About 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone

1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone (PubChem CID 95468407) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
PubChem CID95468407
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
SMILESCCc1cc(C(=O)CN2CCNCC2)ccc1OC
InChIInChI=1S/C15H22N2O2/c1-3-12-10-13(4-5-15(12)19-2)14(18)11-17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyKLQKRUAYJAVERA-UHFFFAOYSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 82054227
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
methyl 3-(3-ethyl-4-methoxyphenyl)-3-oxopropanoate
CID 95452456
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone (CID 95468407) is 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone is CCc1cc(C(=O)CN2CCNCC2)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone?
The InChIKey is KLQKRUAYJAVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-10-13(4-5-15(12)19-2)14(18)11-17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone?
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 95468407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).