3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

C16H24N2O3 — CID 100789568

IUPAC3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1cccc(OC)c1CCC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O3/c1-17-9-11-18(12-10-17)16(19)8-7-13-14(20-2)5-4-6-15(13)21-3/h4-6H,7-12H2,1-3H3
InChIKeyBSLMFENSFYWHLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.41
Rot. Bonds5

About 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 100789568) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID100789568
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1cccc(OC)c1CCC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O3/c1-17-9-11-18(12-10-17)16(19)8-7-13-14(20-2)5-4-6-15(13)21-3/h4-6H,7-12H2,1-3H3
InChIKeyBSLMFENSFYWHLE-UHFFFAOYSA-N
XLogP1.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580
3-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60712683
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108533985
3-cyclopentyl-1-[4-[2-(2,6-dimethoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 136514101
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29105223
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
CID 100789335
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 100789568) is 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one is COc1cccc(OC)c1CCC(=O)N1CCN(C)CC1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is BSLMFENSFYWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-9-11-18(12-10-17)16(19)8-7-13-14(20-2)5-4-6-15(13)21-3/h4-6H,7-12H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 100789568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).