3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one

C18H28N2O3 — CID 110109749

IUPAC3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCN(C)C(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H28N2O3/c1-14(2)23-16-7-5-15(6-8-16)17-13-20(11-10-19(17)3)18(21)9-12-22-4/h5-8,14,17H,9-13H2,1-4H3
InChIKeyUWQYTBYLQHZAGB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.33
Rot. Bonds6

About 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one

3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 110109749) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID110109749
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCN(C)C(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H28N2O3/c1-14(2)23-16-7-5-15(6-8-16)17-13-20(11-10-19(17)3)18(21)9-12-22-4/h5-8,14,17H,9-13H2,1-4H3
InChIKeyUWQYTBYLQHZAGB-UHFFFAOYSA-N
XLogP2.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 124988037
1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 110109426
4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149404
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
2-butoxy-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone
CID 86285799
[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110148966
1-[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293369
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 124981776
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one (CID 110109749) is 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one is COCCC(=O)N1CCN(C)C(c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UWQYTBYLQHZAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)23-16-7-5-15(6-8-16)17-13-20(11-10-19(17)3)18(21)9-12-22-4/h5-8,14,17H,9-13H2,1-4H3.
What are the key properties of 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one?
3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 320.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110109749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).