1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one

C17H26N2O2 — CID 110358226

IUPAC1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-17(20)19-12-10-18(11-13-19)9-5-7-15-6-4-8-16(14-15)21-2/h4,6,8,14H,3,5,7,9-13H2,1-2H3
InChIKeyIQXPQZMFEGLSNQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds6

About 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one

1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one (PubChem CID 110358226) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
PubChem CID110358226
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-17(20)19-12-10-18(11-13-19)9-5-7-15-6-4-8-16(14-15)21-2/h4,6,8,14H,3,5,7,9-13H2,1-2H3
InChIKeyIQXPQZMFEGLSNQ-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110412322
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164653

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one (CID 110358226) is 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCCc2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one?
The InChIKey is IQXPQZMFEGLSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(20)19-12-10-18(11-13-19)9-5-7-15-6-4-8-16(14-15)21-2/h4,6,8,14H,3,5,7,9-13H2,1-2H3.
What are the key properties of 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one?
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110358226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).